SCHEMBL4333580

SCHEMBL4333580

CCCNC(=O)c1cc(-c2ccc(C)cc2)cc(-n2cnnn2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
P2RY14 Q15391 1/20 0.48
GAA P10253 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 4/20 0.42
NPC1 O15118 1/20 0.42
MEN1 O00255 1/20 0.42
NOTUM Q6P988 1/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
P2RX3 P56373 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
USP2 O75604 1/20 0.40

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
SCHEMBL4317016 0.84 TSHR (0.69) TSHRGAARAB9ASMN1; SMN2KMT2A
SCHEMBL10242992 0.83 TSHR (0.48) TSHRKMT2AKDM4ENOTUMMAPK1
SCHEMBL10242980 0.83 NPC1 (0.47) TSHRRAB9ANPC1P2RX3P2RX2
SCHEMBL4321393 0.83 TSHR (0.49) TSHRP2RY14RAB9ASMN1; SMN2KMT2A
SCHEMBL10242989 0.83 TSHR (0.47) TSHRP2RY14RAB9ASMN1; SMN2LMNA
SCHEMBL4320547 0.83 TSHR (0.47) TSHRP2RX3P2RX2
SCHEMBL2203866 0.82 TP53 (0.53) TSHRGAALMNAKDM4EMAPT
SCHEMBL4414129 0.82 P2RX3 (0.55) TSHRP2RY14RAB9ASMN1; SMN2KMT2A
SCHEMBL4333573 0.82 TSHR (0.48) TSHRKMT2ANOTUMTP53P2RX3
SCHEMBL10243016 0.81 P2RX3 (0.45) TSHRP2RX3P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists ROCHE PALO ALTO LLC (US) 2019-02-12 US disclosed
US-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-05-25 US disclosed
US-9593128-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists HOFFMANN-LA ROCHE INC. (US) 2017-03-14 US disclosed
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS GENENTECH, INC. (US) 2015-07-09 US disclosed
US-8846945-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists DILLON MICHAEL PATRICK (US) 2014-09-30 US disclosed
US-20120214789-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS DILLON MICHAEL PATRICK (US) 2012-08-23 US disclosed
US-8193368-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2012-06-05 US disclosed
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists DILLON MICHAEL PATRICK 2009-12-31 US disclosed
US-7595405-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2009-09-29 US disclosed
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-01-03 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 (6 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-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS P2RX2, P2RX3, TPX2 TSHR 131/4885P2RY14 19/4885GAA 2972/4885
US-20120214789-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 TSHR 178/4885P2RY14 14/4885GAA 3680/4885
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists P2RX2, P2RX3, TPX2 TSHR 132/4885P2RY14 20/4885GAA 3028/4885
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 TSHR 178/4885P2RY14 14/4885GAA 3680/4885
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists P2RX3, P2RX2, P2RX5 TSHR 178/4885P2RY14 14/4885GAA 3680/4885
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX5 TSHR 178/4885P2RY14 14/4885GAA 3680/4885

“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.