SCHEMBL1640465

SCHEMBL1640465

Nc1nc(N)n(-c2ccc(N3CCN([C@H]4CC5CCC4C5)CC3)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AXL P30530 15/20 0.55
KDR P35968 10/20 0.53
KDM4E B2RXH2 1/20 0.38
CDK4 P11802 2/20 0.38
AURKA O14965 1/20 0.38
CCND1 P24385 1/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 1/20 0.36

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
SCHEMBL10316679 1.00 AXL (0.55) AXLKDRKDM4ECDK4AURKA
SCHEMBL15436262 0.86 AXL (0.42) AXLKDRKDM4E
SCHEMBL10317023 0.86 AXL (0.52) AXLKDRKDM4E
SCHEMBL10317024 0.86 AXL (0.52) AXLKDRKDM4E
SCHEMBL15754378 0.85 AXL (0.53) AXLKDR
SCHEMBL11318463 0.81 AXL (0.48) AXLKDRKDM4E
SCHEMBL3959773 0.81 AXL (0.48) AXLKDRKDM4E
SCHEMBL14090630 0.81 AXL (0.48) AXLKDRKDM4E
SCHEMBL3452912 0.75 AXL (0.45) AXLKDRKDM4ECDK4AURKA
SCHEMBL12725510 0.75 KMT2A (0.56) AXLKDRKDM4ECDK4AURKA

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
US-8168636-B2 Polycyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-20110098274-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-04-28 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 AXL 1/4885KDR 70/4885KDM4E 4019/4885
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK AXL 1/4885KDR 70/4885KDM4E 4019/4885
US-20110098274-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 AXL 1/4885KDR 96/4885KDM4E 4036/4885
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK AXL 1/4885KDR 70/4885KDM4E 4019/4885

“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.