SCHEMBL14666992

SCHEMBL14666992

Cc1ccc(CNc2nc(C(C)C)c3ncccc3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.49
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NTRK1 P04629 1/20 0.41
CLK4 Q9HAZ1 1/20 0.39
EGFR P00533 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
PIP4K2C Q8TBX8 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
SCHEMBL19185191 0.86 APP (0.52) APPNPC1CLK4EGFRCCNE1
SCHEMBL14666993 0.78 PRMT5 (0.38) ALDH1A1KDM4ESMN1; SMN2MAPTPIP4K2C
SCHEMBL14666989 0.73 PRMT5 (0.45) NPC1ALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL16541503 0.72 APP (0.55) APPNPC1CLK4EGFRMAPT
SCHEMBL24522497 0.70 KMT2A (0.64) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL16171323 0.70 LMNA (0.42) NPC1ALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL14667018 0.68 PRMT5 (0.40) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL14667017 0.68 PRMT5 (0.40) NPC1ALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL14667019 0.68 TLR8 (0.52) APP
SCHEMBL13384583 0.68 KDM4E (0.45) APPRAB9ANPC1MEN1KMT2A

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-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-20150126506-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-05-07 US disclosed
US-8969363-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-03-03 US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 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-20150126506-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB APP 2127/4885RAB9A 741/4885NPC1 1044/4885
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB APP 2127/4885RAB9A 741/4885NPC1 1044/4885

“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.