SCHEMBL206754

SCHEMBL206754

Cc1ccc(NC(=O)OC(C)(C)C)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RAF1 P04049 1/20 0.46
LCK P06239 6/20 0.42
CA1 P00915 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP17A1 P05093 1/20 0.40
CA2 P00918 1/20 0.40
ATF1 P18846 1/20 0.39

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
SCHEMBL21450366 0.81 CA1 (0.42) RAB9ALCKCA1CA12CA9
SCHEMBL28834445 0.81 LCK (0.41) LCKCA1GAAPKMALOX15
SCHEMBL26991593 0.81 LCK (0.42) NPC1RAB9ASMN1; SMN2LCKCA1
SCHEMBL1504066 0.81 ATR (0.43) LCKCA1GAAPKMALOX15
SCHEMBL380080 0.80 DAO (0.42) MAPTLCKCA1GAAPKM
SCHEMBL13983816 0.80 LMNA (0.46) LCKCA1GAAPKMALOX15
SCHEMBL380561 0.79 L3MBTL1 (0.49) RAF1LCKCA1GAAPKM
SCHEMBL28070546 0.79 CYP17A1 (0.41) NPC1RAB9ALCKCA1CA12
SCHEMBL28090827 0.79 CYP17A1 (0.41) LCKCA1CA12CA9GAA
SCHEMBL15674780 0.79 LMNA (0.42) LCKCA1GAAPKMALOX15

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377747-B2 2-arylamino pyridine, pyrimidine or triazine derivatives, preparation method and use thereof WUXI SHUANGLIANG BIOTECHNOLOGY CO., LTD. (CN) 2019-08-13 US disclosed
US-10377747-B2 2-arylamino pyridine, pyrimidine or triazine derivatives, preparation method and use thereof WUXI SHUANGLIANG BIOTECHNOLOGY CO., LTD. (CN) 2019-08-13 US disclosed
US-20180208585-A1 2-ARYLAMINO PYRIDINE, PYRIMIDINE OR TRIAZINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF WUXI SHUANGLIANG BIOTECHNOLOGY CO., LTD. (CN) 2018-07-26 US disclosed
US-20180208585-A1 2-ARYLAMINO PYRIDINE, PYRIMIDINE OR TRIAZINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF WUXI SHUANGLIANG BIOTECHNOLOGY CO., LTD. (CN) 2018-07-26 US disclosed
EP-3345906-A1 2-ARYLAMINO PYRIDINE, PYRIDINE OR TRIAZINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF Wuxi Shuangliang Biotechnology Co., Ltd. (CN) 2018-07-11 EP disclosed
EP-3345906-A1 2-ARYLAMINO PYRIDINE, PYRIDINE OR TRIAZINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF Wuxi Shuangliang Biotechnology Co., Ltd. (CN) 2018-07-11 EP disclosed
WO-2017035753-A1 2-ARYLAMINO PYRIDINE, PYRIDINE OR TRIAZINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF 无锡双良生物科技有限公司 2017-03-09 WO disclosed
US-9579320-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2017-02-28 US disclosed
US-9579320-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2017-02-28 US disclosed
CN-105658653-A Furo- and thieno-pyridine carboxamide compounds useful as PIM kinase inhibitors 因赛特公司 2016-06-08 CN disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
WO-2009102462-A1 THIENOPYRROLES AND PYRROLOTHIAZOLES AS NEW THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2009-08-20 WO disclosed
US-20090209609-A1 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBVIE INC. 2009-08-20 US disclosed
US-20090209609-A1 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBVIE INC. 2009-08-20 US disclosed
US-20090209609-A1 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBVIE INC. 2009-08-20 US disclosed
CN-101163700-A Triamine derivative DAIICHI SEIYAKU CO (JP) 2008-04-16 CN disclosed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP disclosed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP 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-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 NFKB1 1277/4885NPC1 3007/4885TP53 4819/4885
US-20180208585-A1 2-ARYLAMINO PYRIDINE, PYRIMIDINE OR TRIAZINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF ERBB2, EGFR, ERBB3 NFKB1 2037/4885NPC1 4189/4885TP53 9/4885
US-10377747-B2 2-arylamino pyridine, pyrimidine or triazine derivatives, preparation method and use thereof ERBB2, EGFR, ERBB3 NFKB1 1879/4885NPC1 4298/4885TP53 9/4885
US-20090209609-A1 Thienopyrroles and pyrrolothiazoles as new therapeutic agents HRH2, HRH1, TSLP NFKB1 1012/4885NPC1 3082/4885TP53 4221/4885

“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.