SCHEMBL29629023

SCHEMBL29629023

N#Cc1cnc2ccn[nH]c1-2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
TGFBR1 P36897 3/20 0.35
MAPK10 P53779 1/20 0.32
RIPK1 Q13546 1/20 0.32
PTGES O14684 1/20 0.32
LRRK2 Q5S007 2/20 0.32
PIM1 P11309 2/20 0.31
FGFR1 P11362 2/20 0.31
FGFR3 P22607 2/20 0.31
PLK4 O00444 1/20 0.31
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
CHUK O15111 1/20 0.31
ROCK2 O75116 1/20 0.31
CHEK2 O96017 1/20 0.31
INSR P06213 1/20 0.31
CDK1 P06493 1/20 0.31
CSF1R P07333 1/20 0.31
PRKACA P17612 1/20 0.31

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
SCHEMBL6070098 0.71 L3MBTL1 (0.41) TGFBR1MAPK10ROCK2CDK2TYK2
SCHEMBL1625393 0.64
SCHEMBL4325442 0.64 IDO1 (0.37) ALDH1A1CSNK1A1CLK4
SCHEMBL27751556 0.64 IDO1 (0.37) ALDH1A1CSNK1A1CLK4
Hydrochloric Acid SCHEMBL5047885 0.63 IDO1 (0.36) ALDH1A1NPSR1CSNK1A1CLK4
SCHEMBL671939 0.62
SCHEMBL22999206 0.61 ATR (0.38) CYP4F2CYP4A11PIM1ADORA2AADORA1
SCHEMBL23019617 0.61 ATR (0.38) CYP4F2CYP4A11PIM1KDRLTA4H
SCHEMBL30186063 0.60 PDE4A (0.40) LRRK2CHEK1ALDH1A1CSNK1A1CLK4
SCHEMBL11272209 0.60 TRPA1 (0.42) PTGESLRRK2PIM1PLK4FLT3

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-20220169654-A1 New Organic Compounds SERVIER PHARMACEUTICALS LLC (US) 2022-06-02 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-20220169654-A1 New Organic Compounds MNAT1, MAT2A, EIF4A2 CYP4F2 1228/4885CYP4A11 2580/4885TGFBR1 3948/4885

“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.