SCHEMBL84397

SCHEMBL84397

CC(C)c1ccnc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 8/20 0.43
▸ SYK P43405 1/20 0.41
▸ BTK Q06187 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CDK6 Q00534 1/20 0.40
▸ JAK2 O60674 2/20 0.40
▸ JAK1 P23458 2/20 0.40
▸ TYK2 P29597 2/20 0.40
▸ TLR9 Q9NR96 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ AOC3 Q16853 1/20 0.39
▸ ACVR1 Q04771 1/20 0.39
▸ BCL6 P41182 1/20 0.38

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
SCHEMBL91456 0.87 SYK (0.44) LRRK2SYKCDK4CCND1CDK6
SCHEMBL15185759 0.85 LRRK2 (0.45) LRRK2SYKBTKKCNH2TLR9
SCHEMBL24590137 0.76 KMT2A (0.46) LRRK2BTKKCNH2TLR9TLR8
SCHEMBL24590334 0.76 KMT2A (0.46) LRRK2BTKKCNH2TLR9TLR8
SCHEMBL13105214 0.74 KMT2A (0.49) BTKKCNH2TLR9TLR8TLR7
SCHEMBL10224744 0.72 SYK (0.46) LRRK2SYKCDK4CCND1CDK6
SCHEMBL17108649 0.71 KMT2A (0.49) LRRK2TLR9TLR8TLR7AOC3
SCHEMBL276991 0.71 KMT2A (0.49) LRRK2TLR9TLR8TLR7AOC3
SCHEMBL24590318 0.71 KMT2A (0.46) BTKKCNH2TLR9TLR8TLR7
SCHEMBL20034308 0.70 KMT2A (0.43) LRRK2TLR9TLR8TLR7AOC3

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-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 — — US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 — — US disclosed
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 (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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS LRRK2 490/4885SYK 1136/4885BTK 169/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS LRRK2 714/4885SYK 1204/4885BTK 293/4885

“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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