SCHEMBL4993286

SCHEMBL4993286

[c]1cnnc2c1COc1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.39
ALPL P05186 2/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 2/20 0.37
MAOB P27338 8/20 0.36
MAPT P10636 6/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAOA P21397 1/20 0.34
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL118748 0.71 DRD4 (0.43) MAOBMAPTMAOATSHR
SCHEMBL30276323 0.70 KMT2A (0.46) KDM4EALDH1A1LMNAGAATHRB
SCHEMBL1679489 0.65 KMT2A (0.44) KDM4EALDH1A1LMNAGAATHRB
SCHEMBL29799860 0.64 MAOB (0.60) KDM4EALDH1A1LMNAGAAHSD17B10
SCHEMBL29395306 0.64 MAOB (0.60) KDM4EALDH1A1LMNAGAAHSD17B10
SCHEMBL132696 0.64 MAOB (0.60) KDM4EALDH1A1LMNAGAAHSD17B10
SCHEMBL10612820 0.63 KDM4E (0.43) KDM4EALDH1A1LMNAGAATHRB
SCHEMBL10610309 0.63 KDM4E (0.54) KDM4EALDH1A1LMNAGAATHRB
SCHEMBL3352843 0.63 KMT2A (0.39) KDM4EALDH1A1LMNAGAATHRB
Hydrochloric Acid SCHEMBL572068 0.63 MAOB (0.58) KDM4EALDH1A1LMNAGAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10166216-B2 Substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2019-01-01 US disclosed
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2016-08-25 US disclosed
US-9353126-B2 Substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2015-03-12 US disclosed
US-8906922-B2 Substituted triazoles useful as AXl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-12-09 US disclosed
EP-2476679-A2 Substituted triazoles useful as AXL inhibitors Rigel Pharmaceuticals, Inc. (US) 2012-07-18 EP disclosed
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 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 (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-10166216-B2 Substituted triazoles useful as Axl inhibitors AXL, TYRO3, MERTK KDM4E 4019/4885ALDH1A1 4309/4885LMNA 3898/4885
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK KDM4E 4019/4885ALDH1A1 4309/4885LMNA 3898/4885
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK KDM4E 4019/4885ALDH1A1 4309/4885LMNA 3898/4885
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia AXL, TYRO3, FLT3 KDM4E 1183/4885ALDH1A1 2732/4885LMNA 4349/4885

“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.