SCHEMBL10286281

SCHEMBL10286281

Cc1ccccc1-c1nc2c(C)cccc2nc1CNc1ncnc2[nH]cnc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.54
MAPK1 P28482 2/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
CYP2D6 P10635 5/20 0.36
CYP3A4 P08684 4/20 0.36
CYP1A2 P05177 4/20 0.35
TSHR P16473 3/20 0.35
CYP2C19 P33261 3/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C9 P11712 2/20 0.35
LMNA P02545 1/20 0.34
CDK2 P24941 1/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34

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
SCHEMBL10286347 0.96 PIK3CD (0.52) PIK3CDMAPK1MAPTRAB9ACYP2D6
SCHEMBL4174140 0.92 PIK3CD (0.48) PIK3CDMAPK1MAPTRAB9ACYP2D6
SCHEMBL14850585 0.92 PIK3CD (0.48) PIK3CDMAPK1MAPTRAB9APIM1
SCHEMBL12020042 0.91 PIK3CD (0.47) PIK3CDMAPK1MAPTRAB9ACYP2D6
SCHEMBL12015594 0.89 PIK3CD (0.49) PIK3CDMAPK1CYP2D6CYP3A4CYP1A2
SCHEMBL12015593 0.88 PIK3CD (0.48) PIK3CDMAPK1MAPTRAB9ACYP2D6
SCHEMBL4173738 0.88 PIK3CD (0.47) PIK3CDMAPK1MAPTRAB9ACYP2D6
SCHEMBL788749 0.84 PIK3CD (0.74) PIK3CDCYP2D6CYP3A4CYP1A2TSHR
SCHEMBL1598109 0.84 PIK3CD (0.43) PIK3CDMAPK1CYP2D6CYP3A4CYP1A2
SCHEMBL10285461 0.84 PIK3CD (0.44) PIK3CDMAPK1MAPTRAB9ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220585-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-08-30 US disclosed
US-8193199-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2012-06-05 US disclosed
US-20090137581-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-05-28 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-20090137581-A1 Heterocyclic compounds and their uses MCL1, BCL9, MALT1 PIK3CD 16/4885MAPK1 1094/4885MAPT 3355/4885
US-20120220585-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885MAPK1 1094/4885MAPT 3355/4885

“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.