SCHEMBL91456

SCHEMBL91456

CC(C)c1ccnc(Nc2ccc(N3CCO[C@@H](C)C3)nc2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.44
▸ CDK4 P11802 1/20 0.44
▸ CCND1 P24385 1/20 0.44
▸ CDK6 Q00534 1/20 0.44
▸ LRRK2 Q5S007 3/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ NR3C2 P08235 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ SMO Q99835 1/20 0.39
▸ WNT3A P56704 1/20 0.39
▸ ZAP70 P43403 5/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ ATR Q13535 2/20 0.38
▸ BRAF P15056 1/20 0.37

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
SCHEMBL84397 0.87 LRRK2 (0.43) SYKCDK4CCND1CDK6LRRK2
SCHEMBL10224744 0.86 SYK (0.46) SYKCDK4CCND1CDK6LRRK2
SCHEMBL13113410 0.76 NR3C2 (0.44) SYKLRRK2NR3C2SMOWNT3A
SCHEMBL26141098 0.75 ACACB (0.46) CDK4CCND1CDK6LRRK2NR3C2
SCHEMBL14349214 0.74 NR3C2 (0.44) SYKCDK4CCND1CDK6LRRK2
SCHEMBL15185759 0.73 LRRK2 (0.45) SYKLRRK2SMO
SCHEMBL14376036 0.71 NR3C2 (0.47) SYKLRRK2NR3C2WNT3A
SCHEMBL21588286 0.69 AKR1C3 (0.46) SYKLRRK2NR3C2WNT3A
SCHEMBL12235349 0.69 NR3C2 (0.45) SYKLRRK2NR3C2
SCHEMBL21588456 0.69 AKR1C3 (0.46) SYKLRRK2NR3C2WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 — — US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 — — 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 (1 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS SYK 1136/4885CDK4 12/4885CCND1 747/4885

“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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