SCHEMBL9971001

SCHEMBL9971001

CCc1ccc(C(=O)N2CCCC2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 3/20 0.56
POLB P06746 1/20 0.53
HPGD P15428 4/20 0.51
USP2 O75604 1/20 0.48
MTOR P42345 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45
CNR1 P21554 2/20 0.44
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL16656855 0.88 TSHR (0.53) POLBHPGDTSHR
SCHEMBL21267332 0.87 MAPT (0.54) CPS1HPGDMTORKMT2ACNR1
SCHEMBL11919305 0.87 TSHR (0.56) POLBHPGDRAB9ANPC1KMT2A
SCHEMBL21267340 0.86 CPS1 (0.49) CPS1POLBHPGDMTORKDM4E
SCHEMBL10265412 0.85 PARP1 (0.51) CPS1POLBTSHR
SCHEMBL25085646 0.83 L3MBTL3 (0.52) CPS1MTOR
SCHEMBL7903535 0.81 POLB (0.55) POLBHPGDRAB9ANPC1KMT2A
SCHEMBL3901062 0.81 POLB (0.55) POLBHPGDRAB9ANPC1KMT2A
SCHEMBL7878686 0.80 CPS1 (0.60) CPS1HPGDUSP2RAB9ANPC1
SCHEMBL3901059 0.79 POLB (0.54) POLBHPGDUSP2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CPS1 3575/4885POLB 1091/4885HPGD 2502/4885

“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.