SCHEMBL2635585

SCHEMBL2635585

Nc1ncnn2c(CN3CCOCC3)cc(-c3ccc(NC(=O)O)c(F)c3)c12

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 13/20 0.66
▸ MERTK Q12866 1/20 0.52
▸ RET P07949 1/20 0.51
▸ BCR P11274 1/20 0.51
▸ FGFR1 P11362 1/20 0.51
▸ FLT3 P36888 1/20 0.51
▸ FRK P42685 1/20 0.51
▸ MAPK9 P45984 1/20 0.51
▸ RPS6KA3 P51812 1/20 0.51
▸ PRKCD Q05655 1/20 0.51
▸ DDR1 Q08345 1/20 0.51
▸ MAP4K2 Q12851 1/20 0.51
▸ TNK1 Q13470 1/20 0.51
▸ RPS6KA1 Q15418 1/20 0.51
▸ MAP3K11 Q16584 1/20 0.51
▸ DDR2 Q16832 1/20 0.51
▸ RPS6KA6 Q9UK32 1/20 0.51
▸ MOK Q9UQ07 3/20 0.44
▸ F10 P00742 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL60311 0.89 ACVRL1 (0.59) ACVRL1MERTKRETBCRFGFR1
SCHEMBL59210 0.89 ACVRL1 (0.59) ACVRL1MERTKRETBCRFGFR1
SCHEMBL2635793 0.88 ACVRL1 (0.64) ACVRL1MERTKRETBCRFGFR1
SCHEMBL2635291 0.88 ACVRL1 (0.53) ACVRL1MERTKRETBCRFGFR1
SCHEMBL64719 0.88 ACVRL1 (0.60) ACVRL1MERTKRETBCRFGFR1
SCHEMBL58935 0.87 ACVRL1 (0.57) ACVRL1MERTKRETBCRFGFR1
SCHEMBL59660 0.86 FLT3 (0.69) ACVRL1MERTKRETBCRFGFR1
SCHEMBL60189 0.86 ACVRL1 (0.59) ACVRL1MERTKRETBCRFGFR1
SCHEMBL59409 0.86 ACVRL1 (0.55) ACVRL1MERTKRETBCRFGFR1
SCHEMBL90888 0.86 ACVRL1 (0.57) ACVRL1MERTKRETBCRFGFR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115090-B2 Zn2+-chelating motif-tethered short-chain fatty acids as a novel class of histone deacetylase inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2015-08-25 — — US claimed
US-20070225373-A1 Zn2Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-09-27 — — US claimed
EP-1696898-A2 ZN 24 -CHELATING MOTIF-TETHERED SHORT-CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-09-06 — — EP claimed
WO-2005055928-A2 ZN2+ -CHELATING MOTIF-TETHERED SHORT -CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-06-23 — — WO claimed
EP-1696898-B1 ZN 2+ -CHELATING MOTIF-TETHERED SHORT-CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS UNIV OHIO STATE RES FOUND (US) 2015-11-18 — — EP disclosed
US-9115090-B2 Zn2+-chelating motif-tethered short-chain fatty acids as a novel class of histone deacetylase inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2015-08-25 — — US disclosed
EP-1957485-B1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2013-02-13 — — EP disclosed
US-8318808-B2 Zn2+chelating motif-tethered short-chain fatty acids as a novel class of histone deacetylase inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-11-27 — — US disclosed
US-8129379-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-06 — — US disclosed
WO-2011143314-A1 COMPOSITIONS AND METHODS FOR REDUCING PROLIFERATION AND VIABILITY OF LYMPHOBLASTOID CELLS ARNO THERAPEUTICS, INC (US) 2011-11-17 — — WO disclosed
US-20100247543-A1 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS, S.A. (ES) 2010-09-30 — — US disclosed
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2010-07-15 — — US disclosed
EP-2195029-A2 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES Oryzon Genomics SA (ES) 2010-06-16 — — EP disclosed
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 — — US disclosed
US-20090137679-A1 ZN2+Chelating Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase Inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-05-28 — — US disclosed
WO-2009027349-A2 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS SA (ES) 2009-03-05 — — WO disclosed
US-20070225373-A1 Zn2Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-09-27 — — US disclosed
EP-1696898-A2 ZN 24 -CHELATING MOTIF-TETHERED SHORT-CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-09-06 — — EP disclosed
WO-2005055928-A2 ZN2+ -CHELATING MOTIF-TETHERED SHORT -CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-06-23 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, CDKL4, MKI67 ACVRL1 941/4885MERTK 1749/4885RET 1190/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 ACVRL1 963/4885MERTK 1905/4885RET 1280/4885
US-20070225373-A1 Zn2Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase HDAC1, BAZ2B, HDAC11 ACVRL1 4708/4885MERTK 4493/4885RET 4494/4885
US-20090137679-A1 ZN2+Chelating Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase Inhibitors HDAC1, HDAC9, HDAC3 ACVRL1 4038/4885MERTK 3107/4885RET 4796/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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