SCHEMBL7901419

SCHEMBL7901419

CC(C)(C)Nc1ccc(CCN2CCOCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.55
▸ CDK1 P06493 2/20 0.47
▸ KDR P35968 2/20 0.47
▸ POLB P06746 1/20 0.46
▸ L3MBTL3 Q96JM7 1/20 0.46
▸ EPHX2 P34913 1/20 0.44
▸ THRA P10827 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ TNIK Q9UKE5 1/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ AOC3 Q16853 1/20 0.41

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
SCHEMBL8378289 0.90 SIGMAR1 (0.51) SIGMAR1CDK1KDRPOLBL3MBTL3
SCHEMBL15034748 0.86 HRH3 (0.59) SIGMAR1L3MBTL3HRH3
SCHEMBL15236990 0.84 HRH3 (0.59) SIGMAR1L3MBTL3HRH3
SCHEMBL21965831 0.84 HRH3 (0.59) HRH3LMNAMAPTSMN1; SMN2
SCHEMBL13283790 0.83 SIGMAR1 (0.53) SIGMAR1CDK1KDRPOLBL3MBTL3
SCHEMBL14980018 0.83 SIGMAR1 (0.55) SIGMAR1CDK1KDRPOLBL3MBTL3
SCHEMBL15137345 0.81 SIGMAR1 (0.57) SIGMAR1CDK1KDRPOLBL3MBTL3
SCHEMBL24022514 0.80 SIGMAR1 (0.60) SIGMAR1POLBL3MBTL3THRATHRB
SCHEMBL23805529 0.80 SIGMAR1 (0.82) SIGMAR1CDK1KDRPOLBL3MBTL3
SCHEMBL8009145 0.80 SIGMAR1 (0.55) SIGMAR1POLBL3MBTL3EPHX2TNIK

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160287596-A1 Benzoxazole Kinase Inhibitors and Methods of Use FAETH THERAPEUTICS, INC. 2016-10-06 — — US disclosed
US-9174994-B2 Enhanced treatment regimens using mTor inhibitors INTELLIKINE, LLC (US) 2015-11-03 — — US disclosed
US-20150306105-A1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE FAETH THERAPEUTICS, INC. 2015-10-29 — — US disclosed
US-8912203-B2 6-(sulfonylaryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-12-16 — — US disclosed
US-20140287031-A1 ENHANCED TREATMENT REGIMENS USING MTOR INHIBITORS INTELLIKINE, LLC (US) 2014-09-25 — — US disclosed
US-8680099-B2 6-(ethynyl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-03-25 — — US disclosed
US-20140030256-A1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC (US) 2014-01-30 — — US disclosed
US-8637542-B2 Kinase inhibitors and methods of use INTELLIKINE, INC. (US) 2014-01-28 — — US disclosed
US-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 — — US disclosed
US-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 — — US disclosed
US-20130245012-A1 6-(ETHYNYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-19 — — US disclosed
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS AFRAXIS, INC. (US) 2013-08-29 — — US disclosed
US-8476282-B2 Benzoxazole kinase inhibitors and methods of use INTELLIKINE LLC (US) 2013-07-02 — — US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 — — US disclosed
US-8450329-B2 — — 2013-05-28 — — US disclosed
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-03-31 — — US disclosed
US-20100184760-A1 Benzoxazole kinase inhibitors and methods of use FAETH THERAPEUTICS, INC. 2010-07-22 — — US 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 (11 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-20150306105-A1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE BMX, MTOR, PDPK1 SIGMAR1 2384/4885CDK1 195/4885KDR 1645/4885
US-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 SIGMAR1 2083/4885CDK1 887/4885KDR 2452/4885
US-20160287596-A1 Benzoxazole Kinase Inhibitors and Methods of Use BMX, MTOR, PDPK1 SIGMAR1 2384/4885CDK1 195/4885KDR 1645/4885
US-20100184760-A1 Benzoxazole kinase inhibitors and methods of use BMX, MTOR, PDPK1 SIGMAR1 2384/4885CDK1 195/4885KDR 1645/4885
US-20140287031-A1 ENHANCED TREATMENT REGIMENS USING MTOR INHIBITORS RICTOR, MTOR, RPTOR SIGMAR1 3638/4885CDK1 115/4885KDR 1398/4885
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE MAP3K20, MAP3K1, PDPK1 SIGMAR1 3382/4885CDK1 259/4885KDR 931/4885
US-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK6 SIGMAR1 2990/4885CDK1 832/4885KDR 2156/4885
US-20130245012-A1 6-(ETHYNYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 SIGMAR1 3297/4885CDK1 465/4885KDR 1998/4885
US-20140030256-A1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE BMX, MTOR, PDPK1 SIGMAR1 2384/4885CDK1 195/4885KDR 1645/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 SIGMAR1 4040/4885CDK1 449/4885KDR 1537/4885
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS SMN1; SMN2, PYGB, PMP22 SIGMAR1 3554/4885CDK1 2665/4885KDR 4548/4885

“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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