SCHEMBL68404

SCHEMBL68404

COc1cc(-c2cncn2-c2cc(-c3ccncc3)ccc2C)cnc1N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.41
MTOR P42345 1/20 0.41
GAK O14976 1/20 0.39
FYN P06241 9/20 0.38
TTK P33981 2/20 0.38
TGFBR1 P36897 1/20 0.38
ACVR1 Q04771 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
DHFR P00374 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
PIK3CG P48736 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
SCHEMBL68403 0.72 MAPK13 (0.43) GAKFYNTTKAURKAAURKB
SCHEMBL68401 0.68 NPY5R (0.44) PIK3CAGAKFYNTTKTGFBR1
SCHEMBL15507407 0.66 TTK (0.47) FYNTTK
SCHEMBL28136363 0.65 ALDH1A1 (0.74) GAKTTKAURKAAURKBINCENP
SCHEMBL15208222 0.65 PTGS2 (0.49) TGFBR1ACVR1DHFR
SCHEMBL67138 0.64 PDGFRB (0.44) GAKTTKAURKAAURKBINCENP
SCHEMBL69343 0.63 MAPK14 (0.48)
SCHEMBL2954606 0.63 HSP90AA1 (0.41) GAKTTKAURKAAURKBINCENP
SCHEMBL1911998 0.63 PDGFRB (0.51) PIK3CAGAKPDGFRBPDGFRA
SCHEMBL29368700 0.63 PDGFRB (0.51) PIK3CAGAKPDGFRBPDGFRA

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 PIK3CA 30/4885MTOR 206/4885GAK 104/4885

“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.