SCHEMBL356986

SCHEMBL356986

CSc1cccc(NC(N)=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.68
MEN1 O00255 5/20 0.68
KMT2A Q03164 5/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
POLB P06746 2/20 0.68
TP53 P04637 2/20 0.68
MAPK1 P28482 1/20 0.68
HSD17B10 Q99714 1/20 0.68
KDM4E B2RXH2 1/20 0.61
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
RAB9A P51151 3/20 0.57
ALDH1A1 P00352 3/20 0.57
NPC1 O15118 2/20 0.57
HPGD P15428 2/20 0.57
RECQL P46063 1/20 0.57
GRM4 Q14833 1/20 0.57

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
SCHEMBL30933151 1.00 MAPT (0.68) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL5208634 0.84 MAPT (0.70) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL4888533 0.84 MAPT (0.75) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL17084253 0.84 MEN1 (0.87) MAPTMEN1KMT2ASMN1; SMN2POLB
Acetic Acid SCHEMBL27563712 0.82 MEN1 (0.63) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL6138093 0.82 MAPT (0.58) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL651726 0.82 MAPT (0.64) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL11777113 0.82 MAPT (0.68) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL24756290 0.81 MAPT (0.76) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL14820333 0.81 SMN1; SMN2 (0.66) MAPTMEN1KMT2ASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
EP-1478359-A1 PIPERIDIN-4-YL UREA DERIVATIVES AND RELATED COMPOUNDS AS CHEMOKINE RECEPTOR INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES Celltech R & D Limited (GB) 2004-11-24 EP disclosed
WO-2003070242-A1 PIPERIDIN-4-YL UREA DERIVATIVES AND RELATED COMPOUNDS AS CHEMOKINE RECEPTOR INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES CELLTECH R & D LIMITED (GB) 2003-08-28 WO disclosed
EP-1005459-A1 SUBSTITUTED ISOQUINOLINES AS ANTICONVULSIVANTS SMITHKLINE BEECHAM PLC (GB) 2000-06-07 EP disclosed
WO-1999014197-A1 SUBSTITUTED ISOQUINOLINES AS ANTICONVULSIVANTS SMITHKLINE BEECHAM PLC (GB) 1999-03-25 WO 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 MAPT 680/4885MEN1 647/4885KMT2A 792/4885

“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.