SCHEMBL14923989

SCHEMBL14923989

CC(C)c1ccc(N2CCN(C(=O)CO)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.64
▸ MAPT P10636 5/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ ALOX12 P18054 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ PANK3 Q9H999 7/20 0.54
▸ ALDH1A1 P00352 3/20 0.53
▸ TP53 P04637 2/20 0.53
▸ THRB P10828 1/20 0.53
▸ FKBP1A P62942 2/20 0.51
▸ RORC P51449 1/20 0.49
▸ CASP6 P55212 1/20 0.47

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
SCHEMBL20884954 0.94 AKR1C3 (0.58) AKR1C3MAPTSMN1; SMN2MAPK1HTT
SCHEMBL23544874 0.87 MAPT (0.64) AKR1C3MAPTSMN1; SMN2MAPK1HTT
SCHEMBL23544870 0.86 KDM4E (0.56) MAPTSMN1; SMN2MAPK1HTTKDM4E
SCHEMBL25839451 0.85 MAPT (0.53) MAPTSMN1; SMN2MAPK1HTTKDM4E
SCHEMBL27089708 0.84 ME2 (0.52) AKR1C3MAPTSMN1; SMN2MAPK1HTT
SCHEMBL14923975 0.84 SMN1; SMN2 (0.52) AKR1C3MAPTSMN1; SMN2MAPK1HTT
SCHEMBL20884943 0.84 SMN1; SMN2 (0.55) AKR1C3MAPTSMN1; SMN2MAPK1HTT
SCHEMBL17306132 0.82 PANK3 (0.56) AKR1C3MAPTSMN1; SMN2MAPK1HTT
SCHEMBL25839446 0.82 SMN1; SMN2 (0.51) AKR1C3MAPTSMN1; SMN2MAPK1HTT
SCHEMBL188832 0.82 AKR1C3 (0.65) AKR1C3MAPTSMN1; SMN2MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3517536-B1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2021-05-05 — — EP disclosed
EP-3517536-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-07-31 — — EP disclosed
US-10259811-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-04-16 — — US disclosed
US-10253019-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-04-09 — — US disclosed
US-20190016717-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-01-17 — — US disclosed
US-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 — — US disclosed
US-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 — — US disclosed
US-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 — — US disclosed
US-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 — — US disclosed
US-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2016-08-11 — — US disclosed
US-9345719-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2016-05-24 — — US disclosed
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-04-07 — — US disclosed
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 — — US disclosed
US-8957065-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD (KR) 2015-02-17 — — US disclosed
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2015-02-12 — — US disclosed
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD. (KR) 2013-05-09 — — 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 (9 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-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS AKR1C3 4037/4885MAPT 2232/4885SMN1; SMN2 2291/4885
US-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, LTK, FYN AKR1C3 4354/4885MAPT 2828/4885SMN1; SMN2 3453/4885
US-10259811-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS AKR1C3 4037/4885MAPT 2232/4885SMN1; SMN2 2291/4885
US-10253019-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS AKR1C3 4037/4885MAPT 2232/4885SMN1; SMN2 2291/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS AKR1C3 4037/4885MAPT 2232/4885SMN1; SMN2 2291/4885
US-20190016717-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS AKR1C3 4037/4885MAPT 2232/4885SMN1; SMN2 2291/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS AKR1C3 4037/4885MAPT 2232/4885SMN1; SMN2 2291/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 AKR1C3 4210/4885MAPT 2825/4885SMN1; SMN2 3653/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 AKR1C3 4210/4885MAPT 2825/4885SMN1; SMN2 3653/4885

“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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