SCHEMBL9922699

SCHEMBL9922699

CNc1cc2nc(C)n(C)c(=O)c2cc1I

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 1/20 0.41
MAPT P10636 3/20 0.33
POLB P06746 2/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 6/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.31
HPD P32754 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KAT2B Q92831 1/20 0.30
BRD9 Q9H8M2 1/20 0.30
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL9919084 0.82 PARG (0.41) PARGMAPTPOLBPKMKDM4E
SCHEMBL9919083 0.82 PARG (0.41) PARGMAPTPOLBPKMKDM4E
SCHEMBL12177192 0.75 PARG (0.41) PARGMAPTPOLBKDM4EALDH1A1
SCHEMBL9922684 0.73 PARG (0.42) PARGMAPTPOLBKDM4ESMN1; SMN2
SCHEMBL6014114 0.72 PARG (0.50) PARGPOLBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL15840310 0.71 PARG (0.43) PARGPOLBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9922459 0.69 PARG (0.46) PARGMAPTALDH1A1LMNA
SCHEMBL7602321 0.68 POLB (0.57) PARGMAPTPOLBKDM4ESMN1; SMN2
SCHEMBL5986479 0.68 CYP3A4 (0.48) PARGMAPTPOLBKDM4ESMN1; SMN2
SCHEMBL19359658 0.66 ESR1 (0.54) PARGMAPTPOLBKDM4EALDH1A1

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-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2008-08-14 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 (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-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 PARG 3527/4885MAPT 4758/4885POLB 3614/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 PARG 2954/4885MAPT 4832/4885POLB 4509/4885

“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.