SCHEMBL13639510

SCHEMBL13639510

Cc1nc2c(c(-c3ccccc3)n1)CCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
HSD17B10 Q99714 6/20 0.47
TSHR P16473 3/20 0.47
HRH2 P25021 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47
KDM4E B2RXH2 7/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 5/20 0.44
HPGD P15428 2/20 0.44
P2RX7 Q99572 1/20 0.44
FPR1 P21462 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43

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
SCHEMBL183957 0.82 HTR2C (0.74) HTR2AHTR2CHTR2BCYP3A4
SCHEMBL19623719 0.81 NPSR1 (0.47) HTR2AHTR2CHTR2BHSD17B10TSHR
SCHEMBL24819490 0.80 ALDH1A1 (0.46) HSD17B10TSHRHRH2HRH3KDM4E
SCHEMBL28151465 0.80 KDM4E (0.50) HSD17B10TSHRKDM4ELMNAMAPT
SCHEMBL12677180 0.79 LMNA (0.49) HTR2AHTR2CHTR2BHSD17B10HRH2
SCHEMBL1101906 0.79 NPSR1 (0.50) HSD17B10HRH2HRH3KDM4ELMNA
SCHEMBL12670577 0.79 HTR2A (0.49) HTR2AHTR2CHTR2BHSD17B10TSHR
SCHEMBL183873 0.78 HTR2C (0.59) HTR2AHTR2CHTR2BP2RX7CYP3A4
SCHEMBL19623881 0.77 HTR2A (0.38) HTR2AHTR2CHTR2BHSD17B10TSHR
SCHEMBL9821295 0.77 LMNA (0.54) HTR2AHTR2CHTR2BLMNAPOLB

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-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
EP-2328888-B1 BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2012-11-07 EP 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 (2 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-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

“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.