SCHEMBL9896282

SCHEMBL9896282

O=C(Cc1ccncc1)Nc1nc2ccccc2o1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.74
ROCK1 Q13464 2/20 0.59
ROCK2 O75116 1/20 0.59
ALDH1A1 P00352 4/20 0.52
POLB P06746 3/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 3/20 0.52
PPARG P37231 2/20 0.52
NR2E3 Q9Y5X4 2/20 0.52
NCOR2 Q9Y618 2/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
SCD O00767 1/20 0.50
WNT3A P56704 2/20 0.49
P2RY14 Q15391 5/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.45

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
SCHEMBL9895257 0.85 CSNK1D (0.77) CSNK1DROCK1ROCK2ALDH1A1NPC1
SCHEMBL9894832 0.81 CSNK1D (0.70) CSNK1DROCK1ROCK2ALDH1A1POLB
SCHEMBL16021385 0.79 CSNK1D (0.67) CSNK1DROCK1ROCK2ALDH1A1POLB
SCHEMBL26177489 0.78 CSNK1D (0.59) CSNK1DROCK1ROCK2NPC1RAB9A
SCHEMBL23356713 0.77 ROCK2 (0.66) CSNK1DROCK2
SCHEMBL29708212 0.77 ROCK2 (0.66) CSNK1DROCK2
SCHEMBL30693271 0.77 ROCK2 (0.66) CSNK1DROCK2
SCHEMBL23566353 0.76 SCD (0.63) CSNK1DROCK1ROCK2ALDH1A1POLB
SCHEMBL10370954 0.76 ELANE (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL4920542 0.75 CSNK1D (0.73) CSNK1DALDH1A1POLBHPGDHSD17B10

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-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 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-20120149718-A1 Amido Compounds P2RX7, P2RX3, P2RX2 CSNK1D 2063/4885ROCK1 4416/4885ROCK2 4499/4885

“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.