SCHEMBL13256166

SCHEMBL13256166

CC(=O)Nc1nc2[nH]nc(-c3ccccc3)c2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KDM4E B2RXH2 4/20 0.51
GAA P10253 2/20 0.51
POLB P06746 1/20 0.51
ADORA2A P29274 2/20 0.50
ADORA1 P30542 2/20 0.50
PIK3CG P48736 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ADORA3 P0DMS8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DYRK1A Q13627 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALOX5 P09917 1/20 0.46

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
SCHEMBL13256180 0.84 XIAP (0.51) ALDH1A1KMT2AMAPTMEN1CYP1A2
SCHEMBL3500991 0.84 MAPT (0.67) ALDH1A1KMT2AMAPTMEN1CYP1A2
SCHEMBL3501856 0.83 ALDH1A1 (0.68) ALDH1A1KMT2AMAPTMEN1CYP1A2
SCHEMBL13256174 0.82 XIAP (0.46) ALDH1A1KMT2AMAPTMEN1CYP1A2
SCHEMBL13256303 0.82 LIMK1 (0.46) ALDH1A1KMT2AMAPTMEN1CYP1A2
SCHEMBL13256161 0.82 POLB (0.45) ALDH1A1KMT2AMAPTMEN1CYP1A2
SCHEMBL3500537 0.81 PARP1 (0.54) ALDH1A1KMT2AKDM4EPOLBADORA2A
SCHEMBL13256304 0.80 RAB9A (0.65) ALDH1A1KMT2AMAPTMEN1CYP1A2
SCHEMBL13256179 0.80 RAB9A (0.50) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL13256172 0.80 SCD (0.57) ALDH1A1KMT2AMAPTMEN1KDM4E

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-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-7473783-B2 Bicyclic pyrazolo protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-01-06 US disclosed
US-7473783-B2 Bicyclic pyrazolo protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-01-06 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-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS MAP3K20, MAP4K2, MAP4K3 ALDH1A1 4737/4885KMT2A 1583/4885MAPT 2003/4885

“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.