SCHEMBL9929413

SCHEMBL9929413

Cc1c(F)cc(C(C)Nc2ncnc3[nH]cnc23)c(C)c1-c1ccc(C(=O)NC2CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.40
CYP2C9 P11712 9/20 0.40
TTK P33981 2/20 0.39
MAPK11 Q15759 1/20 0.38
BTK Q06187 2/20 0.37
HDAC3 O15379 1/20 0.37
ERBB2 P04626 1/20 0.37
KDR P35968 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 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
SCHEMBL9929201 0.92 PIK3CD (0.43) MAPK14CYP2C9TTKMAPK11BTK
SCHEMBL9929795 0.83 PIK3CD (0.43) MAPK14TTKBTKHDAC3KDR
SCHEMBL9929099 0.83 PIK3CD (0.54) MAPK14BTKNPC1LMNA
SCHEMBL9928776 0.74 PIK3CD (0.48)
SCHEMBL9953754 0.73 PIK3CD (0.35) MAPK14BTK
SCHEMBL9928850 0.72 PIK3CD (0.63)
SCHEMBL21986431 0.70 BTK (0.40) MAPK14TTKBTKNPC1SMYD3
SCHEMBL9952369 0.70 FYN (0.39) MAPK14CYP2C9TTKBTKNPC1
SCHEMBL9929350 0.69 PIK3CD (0.46)
SCHEMBL9928974 0.69 PIK3CD (0.46)

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-9096600-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE CORPORATION (US) 2015-08-04 US disclosed
US-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2012-06-21 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-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB MAPK14 370/4885CYP2C9 4374/4885TTK 2462/4885

“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.