SCHEMBL12670577

SCHEMBL12670577

CC(C)(C)c1nc2c(c(-c3ccccc3)n1)CCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
HRH2 P25021 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
LMNA P02545 3/20 0.43
MAPK10 P53779 1/20 0.41
HSD17B10 Q99714 5/20 0.40
KDM4E B2RXH2 4/20 0.40
BCHE P06276 5/20 0.40
ACHE P22303 4/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 3/20 0.40
CACNB4 O00305 1/20 0.40
CACNA1A O00555 1/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
ABCC4 O15439 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNG3 O60359 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
SCHEMBL13639510 0.79 HTR2A (0.50) HTR2AHTR2CHTR2BHRH2HRH3
SCHEMBL24819490 0.76 ALDH1A1 (0.46) HRH2HRH3LMNAMAPK10HSD17B10
SCHEMBL12677180 0.75 LMNA (0.49) HTR2AHTR2CHTR2BHRH2HRH3
SCHEMBL1101906 0.75 NPSR1 (0.50) HRH2HRH3LMNAHSD17B10KDM4E
SCHEMBL9821295 0.73 LMNA (0.54) HTR2AHTR2CHTR2BLMNATHRB
SCHEMBL29881705 0.73 LMNA (0.54) HTR2AHTR2CHTR2BLMNATHRB
SCHEMBL4134361 0.72 ALDH1A1 (0.52) HRH2HRH3LMNAMAPK10HSD17B10
SCHEMBL12426082 0.71 SMN1; SMN2 (0.40) HTR2AHTR2CHTR2BKDM4EBCHE
SCHEMBL28151465 0.70 KDM4E (0.50) LMNAHSD17B10KDM4EBCHEACHE
SCHEMBL9558677 0.70 MAPT (0.58) HSD17B10KDM4EACHEALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206161-B2 Bridged bicyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-20150126514-A1 BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2015-05-07 US disclosed
US-8933080-B2 Bridged bicyclic heteroaryl substituted triazoles useful as axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-20140128400-A1 BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2014-05-08 US disclosed
US-8658669-B2 Bridged bicyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-02-25 US disclosed
US-8431594-B2 Bridged bicyclic heteroaryl substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-04-30 US disclosed
US-20130018051-A1 BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2013-01-17 US disclosed
US-20110105512-A1 BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-05-05 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-20110105512-A1 BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS ERBB2, AXL, ERBB3 HTR2A 2210/4885HTR2C 1484/4885HTR2B 2456/4885
US-20140128400-A1 BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, ERBB2, TYRO3 HTR2A 2321/4885HTR2C 1717/4885HTR2B 2290/4885
US-20150126514-A1 BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, ERBB2, TYRO3 HTR2A 2321/4885HTR2C 1717/4885HTR2B 2290/4885
US-20130018051-A1 BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, ERBB2, TYRO3 HTR2A 2321/4885HTR2C 1717/4885HTR2B 2290/4885

“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.