SCHEMBL1562702

SCHEMBL1562702

CSc1nnc(C)n1-c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.76
TSHR P16473 3/20 0.76
KMT2A Q03164 2/20 0.76
MEN1 O00255 1/20 0.76
KDM4E B2RXH2 3/20 0.58
HSD17B10 Q99714 3/20 0.58
PKM P14618 1/20 0.58
MAPT P10636 1/20 0.55
AVPR1A P37288 1/20 0.53
ALOX15 P16050 1/20 0.51
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
FKBP1A P62942 1/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
USP2 O75604 1/20 0.49
HTT P42858 1/20 0.48

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
SCHEMBL17153776 0.86 KDM4E (0.59) ALDH1A1TSHRKMT2AMEN1KDM4E
SCHEMBL6264206 0.83 KDM4E (0.56) ALDH1A1TSHRKMT2AMEN1KDM4E
SCHEMBL11385894 0.81 ALDH1A1 (0.51) ALDH1A1TSHRKMT2AMEN1KDM4E
SCHEMBL3421771 0.81 AVPR1A (0.67) ALDH1A1TSHRKMT2AMEN1KDM4E
SCHEMBL28303340 0.79 ALDH1A1 (0.68) ALDH1A1TSHRKMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL11375354 0.78 TLR8 (0.57) ALDH1A1TSHRKMT2AMEN1MAPT
SCHEMBL24094347 0.77 ALDH1A1 (0.64) ALDH1A1TSHRKMT2AMEN1KDM4E
SCHEMBL11996351 0.77 TP53 (0.51) ALDH1A1TSHRKMT2AMEN1KDM4E
SCHEMBL11589216 0.76 ALDH1A1 (0.52) ALDH1A1TSHRKMT2AKDM4EHSD17B10
SCHEMBL21217941 0.75 ALDH1A1 (0.49) ALDH1A1TSHRKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2353593-B1 Non-nucleoside reverse transcriptase inhibitors ARDEA BIOSCIENCES INC (US) 2012-08-22 EP disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
EP-2353593-A1 Non-nucleoside reverse transcriptase inhibitors Ardea Biosciences, Inc. (US) 2011-08-10 EP disclosed
EP-1545483-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC (US) 2011-04-06 EP disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
EP-1545483-A4 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC (US) 2009-03-25 EP disclosed
US-20080249131-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-10-09 US disclosed
US-20060135556-A1 Non-nucleoside reverse transcriptase inhibitors INTRABIOTICS PHARMACEUTICALS, INC. 2006-06-22 US disclosed
EP-1545483-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Ribapharm Inc. (US) 2005-06-29 EP disclosed
WO-2005044008-A2 2 -AMINOTHIOPHENE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-05-19 WO disclosed
WO-2004030611-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RIBAPHARM INC. (US) 2004-04-15 WO disclosed
US-4675276-A MESIONIC 1,2,4-TRIAZOLIUM-3-THIOLATE; ANTIFOGGING, HIGH TEMPE RATURE QUICK PROCESSING FUJI PHOTO FILM CO., LTD. (JP) 1987-06-23 US disclosed
US-4582775-A PREVENTING FOG WHILE MAINTAINING SENSITIVITY AND RATE OF DEVELOPMENT FUJI PHOTO FILM CO., LTD. (JP) 1986-04-15 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 (3 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-20080249131-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLRMT, TYMP, RNGTT ALDH1A1 271/4885TSHR 4363/4885KMT2A 911/4885
US-20060135556-A1 Non-nucleoside reverse transcriptase inhibitors POLRMT, TYMP, RNGTT ALDH1A1 271/4885TSHR 4363/4885KMT2A 911/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 ALDH1A1 2031/4885TSHR 1559/4885KMT2A 1134/4885

“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.