SCHEMBL84743

SCHEMBL84743

Cc1cnc2ccncn12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.35
KDR P35968 1/20 0.33
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
SRC P12931 1/20 0.31
GPR139 Q6DWJ6 1/20 0.30
CYP2E1 P05181 1/20 0.30
CYP2A6 P11509 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
PRKCI P41743 1/20 0.30

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
SCHEMBL24040325 0.75 DGAT1 (0.33) KDR
SCHEMBL18237574 0.75 CYP11B1 (0.37) KDR
SCHEMBL10281635 0.72 CCR1 (0.33) HTTCYP2C9SRCCYP2E1CYP2A6
SCHEMBL18609179 0.72 PIK3CA (0.51) TGFBR1KDRHTT
SCHEMBL19225581 0.71 GPR139 (0.34) GPR139
SCHEMBL15510855 0.71 HDAC8 (0.34) KDR
SCHEMBL16566714 0.71 CYP2A6 (0.35) KDRCYP2A6
SCHEMBL17563254 0.70 KDM4E (0.33) TGFBR1KDRCYP1A2CYP2A6
SCHEMBL2653313 0.69 KDR (0.60) KDRSRCMKNK1
SCHEMBL3312349 0.69 TGFBR1 (0.39) TGFBR1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023137034-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2023-07-20 WO disclosed
EP-2997021-B1 NEW SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS CENTREXION THERAPEUTICS CORP (US) 2017-12-20 EP disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 US disclosed
US-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 US disclosed
US-20150051179-A1 NOVEL STEROIDAL CYP17 INHIBITORS/ANTIANDROGENS TOKAI PHARMACEUTICALS, INC. 2015-02-19 US disclosed
US-8791095-B2 Steroidal CYP17 inhibitors/antiandrogens TOKAI PHARMACEUTICALS, INC. (US) 2014-07-29 US disclosed
US-8518952-B2 6 substituted 2-heterocyclylamino pyrazine compounds as CHK-1 inhibitors PFIZER INC. (US) 2013-08-27 US disclosed
US-20120283296-A1 PYRROLOPYRAZOLES FOR TREATING CNS DISORDERS AFRAXIS, INC. (US) 2012-11-08 US disclosed
US-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-31 US disclosed
US-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-31 US disclosed
US-8131527-B1 FGFR pharmacophore compounds ASTEX THERAPEUTICS LTD. (GB) 2012-03-06 US disclosed
EP-2328890-B1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER (US) 2012-01-25 EP disclosed
US-20110312924-A1 NOVEL STEROIDAL CYP17 INHIBITORS/ANTIANDROGENS TOKAI PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 US disclosed
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 US disclosed
WO-2010016005-A1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC. (US) 2010-02-11 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 (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-20110312924-A1 NOVEL STEROIDAL CYP17 INHIBITORS/ANTIANDROGENS CYP11B1, HSD17B7, CYP17A1 TGFBR1 3128/4885KDR 4201/4885HTT 2816/4885
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT TGFBR1 3659/4885KDR 999/4885HTT 1898/4885
US-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME H1-2, L1CAM, H1-0 TGFBR1 576/4885KDR 691/4885HTT 1594/4885
US-20150051179-A1 NOVEL STEROIDAL CYP17 INHIBITORS/ANTIANDROGENS CYP11B1, HSD17B7, CYP17A1 TGFBR1 3128/4885KDR 4201/4885HTT 2816/4885
US-20120283296-A1 PYRROLOPYRAZOLES FOR TREATING CNS DISORDERS PAK2, PAK3, PAK5 TGFBR1 4868/4885KDR 1774/4885HTT 1563/4885
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS CHKA, CSNK1A1, CHKB TGFBR1 3314/4885KDR 821/4885HTT 4377/4885

“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.