SCHEMBL10264087

SCHEMBL10264087

CCc1ccc(N2CCN(CC3CC3)[C@@H](C)C2)nc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.43
▸ LRRK2 Q5S007 1/20 0.40
▸ DRD4 P21917 2/20 0.37
▸ GPR119 Q8TDV5 1/20 0.36
▸ WNT3A P56704 2/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM2 P08172 2/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ GRM1 Q13255 2/20 0.35
▸ CDK4 P11802 2/20 0.35
▸ CCND1 P24385 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ LCAT P04180 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL14853346 0.86 PDE10A (0.43) HRH3LRRK2DRD4GPR119GRM1
SCHEMBL10203244 0.82 CXCR3 (0.40) LRRK2DRD4CHRM4CHRM2CHRM1
SCHEMBL25840185 0.81 HRH3 (0.47) HRH3DRD4GPR119WNT3AGRM1
SCHEMBL13368493 0.81 RET (0.42) HRH3DRD4GPR119LCAT
SCHEMBL27769662 0.76 ADORA2A (0.39) LRRK2DRD4CHRM4CHRM2CHRM1
SCHEMBL13268131 0.74 TRPV1 (0.46) HRH3GPR119LCATALDH1A1
SCHEMBL12826303 0.74 HRH3 (0.48) HRH3GPR119CHRM4LCATALDH1A1
SCHEMBL30299360 0.73 LRRK2 (0.39) LRRK2DRD4GRM1CDK4CCND1
SCHEMBL15986802 0.73 ACVR1 (0.47) —
SCHEMBL14375965 0.73 MAP4K4 (0.48) HRH3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650391-B2 N3-heteroaryl substituted triazoles and N5-heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS INC. (US) 2017-05-16 — — US disclosed
US-20120264740-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2012-10-18 — — 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 (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-20110098274-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 HRH3 1145/4885LRRK2 126/4885DRD4 4757/4885
US-20120264740-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 HRH3 1145/4885LRRK2 126/4885DRD4 4757/4885

“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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