SCHEMBL5880701

SCHEMBL5880701

Cc1cccc(N(S)C(N)=O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.42
RAB9A P51151 3/20 0.41
PARP1 P09874 1/20 0.40
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
CCR1 P32246 1/20 0.38
CCR8 P51685 1/20 0.38
GRM5 P41594 5/20 0.37
GBA1 P04062 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OPRM1 P35372 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
JAK2 O60674 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL5658652 0.79 CLK1 (0.34) PARP1GRM5ALDH1A1
SCHEMBL6176668 0.76 CCR1 (0.33) CCR1
SCHEMBL6180693 0.76 MAPT (0.43) RAB9AGRM5NPC1TP53MAPT
SCHEMBL6178882 0.75 NOS3 (0.39) RAB9ANOS3NOS2GBA1MEN1
SCHEMBL14325784 0.74 CCR1 (0.48) P2RX7RAB9ANOS3NOS2CCR1
Urea SCHEMBL9618576 0.74 P2RX7 (0.55) P2RX7RAB9APARP1NOS3NOS2
SCHEMBL27598433 0.73 CCR1 (0.43) P2RX7RAB9APARP1NOS3NOS2
SCHEMBL9665431 0.73 RAB9A (0.42) P2RX7RAB9APARP1NOS3NOS2
SCHEMBL364884 0.73 KMT2A (0.46) P2RX7RAB9APARP1KMT2ANPC1
SCHEMBL11178833 0.71 HTT (0.38) RAB9AMEN1KMT2ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-06 US disclosed
WO-2013033037-A2 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-07 WO disclosed
US-7109202-B2 Aminothaizoles and their use as adenosine receptor antagonists NOVARTIS AG (CH) 2006-09-19 US disclosed
EP-1218376-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2005-11-09 EP disclosed
EP-1339711-B1 AMINOTHIAZOLES AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-07-27 EP disclosed
US-20040053982-A1 Aminothaizoles and their use as adenosine receptor antagonists NOVARTIS AG (CH) 2004-03-18 US disclosed
EP-1339711-A1 AMINOTHIAZOLES AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2003-09-03 EP disclosed
US-6586424-B2 Anticancer agents; anticholesterol agents MERCK & CO., INC. 2003-07-01 US disclosed
US-6586423-B2 2-(Pyridin-2-ylamino)-thiazole-5-carbonitrile derivatives; angiogenesis inhibitors; antitumor and anticarcinogenic agents; atherosclerosis, macular degeneration, diabetic retinopathy MERCK & CO., INC. 2003-07-01 US disclosed
US-20030064996-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2003-04-03 US disclosed
EP-1218376-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2002-11-20 EP disclosed
US-20020147203-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2002-10-10 US disclosed
EP-1218376-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2002-07-03 EP disclosed
WO-2002042298-A1 AMINOTHIAZOLES AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2002-05-30 WO disclosed
WO-2001017995-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-03-15 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 (4 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-20020147203-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 P2RX7 2890/4885RAB9A 2382/4885PARP1 2637/4885
US-20040053982-A1 Aminothaizoles and their use as adenosine receptor antagonists ADORA1, ADORA3, HCAR1 P2RX7 31/4885RAB9A 2437/4885PARP1 1893/4885
US-20030064996-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 P2RX7 2890/4885RAB9A 2382/4885PARP1 2637/4885
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS PRNP, PSEN1, PSEN2 P2RX7 891/4885RAB9A 1779/4885PARP1 1643/4885

“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.