SCHEMBL693871

SCHEMBL693871

Clc1c[c]ccc1OCc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.54
AURKB Q96GD4 3/20 0.45
INCENP Q9NQS7 3/20 0.45
ABCB1 P08183 1/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
SLC6A4 P31645 1/20 0.42
EGFR P00533 2/20 0.41
ERBB2 P04626 2/20 0.41

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
SCHEMBL2250667 0.83 SYK (0.52) SYKAURKBINCENPABCB1HTR1A
SCHEMBL1711774 0.82 SYK (0.46) SYKAURKBINCENPABCB1HTR1A
SCHEMBL15474677 0.82 SYK (0.51) SYKAURKBINCENPABCB1HTR1A
SCHEMBL1224612 0.82 SYK (0.51) SYKAURKBINCENPABCB1HTR1A
SCHEMBL4342702 0.80 SYK (0.67) SYKAURKBINCENPABCB1HTR1A
SCHEMBL30853451 0.80 SYK (0.67) SYKAURKBINCENPABCB1HTR1A
Ammonia Solution, Strong SCHEMBL4267568 0.79 SYK (0.65) SYKAURKBINCENPABCB1HTR1A
SCHEMBL28753114 0.79 SYK (0.47) SYKAURKBINCENPABCB1HTR1A
SCHEMBL2252935 0.78 MRGPRX4 (0.41) SYKAURKBINCENPFFAR1
SCHEMBL1446254 0.78 HPGD (0.46) HTR1ADRD2MAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3089961-B1 PROCESS FOR THE MANUFACTURE OF (E)-4-N,N-DIALKYLAMINO CROTONIC ACID IN HX SALT FORM AND USE THEREOF FOR SYNTHESIS OF EGFR TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-07-11 EP claimed
EP-3089961-A1 PROCESS FOR THE MANUFACTURE OF (E)-4-N,N-DIALKYLAMINO CROTONIC ACID IN HX SALT FORM AND USE THEREOF FOR SYNTHESIS OF EGFR TYROSINE KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2016-11-09 EP claimed
US-9242965-B2 Process for the manufacture of (E)-4-N,N-dialkylamino crotonic acid in HX salt form and use thereof for synthesis of EGFR tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-26 US claimed
EP-2167492-B1 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS HANMI SCIENCE CO LTD (KR) 2015-10-14 EP claimed
WO-2015101554-A1 PROCESS FOR THE MANUFACTURE OF (E)-4-N,N-DIALKYLAMINO CROTONIC ACID IN HX SALT FORM AND USE THEREOF FOR SYNTHESIS OF EGFR TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL TRADING (SHANGHAI) CO., LTD: (CN) 2015-07-09 WO claimed
US-20150183764-A1 PROCESS FOR THE MANUFACTURE OF (E)-4-N,N-DIALKYLAMINO CROTONIC ACID IN HX SALT FORM AND USE THEREOF FOR SYNTHESIS OF EGFR TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-02 US claimed
US-8741887-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-06-03 US claimed
CN-101679384-B Amide derivatives for inhibiting cancer cell growth HANMI PHARM IND CO LTD 2013-10-16 CN claimed
EP-1844022-B1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI SCIENCE CO LTD (KR) 2013-08-14 EP claimed
US-20130123232-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-05-16 US claimed
WO-2008150118-A2 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS HANMI PHARM. CO., LTD. (KR) 2008-12-11 WO claimed
JP-2008525522-A 2008-07-17 JP claimed
EP-1883631-A1 METHODS OF SYNTHESIZING SUBSTITUTED 3-CYANOQUINOLINES AND INTERMEDIATES THEREOF Wyeth (US) 2008-02-06 EP claimed
US-20080009509-A1 Quinazoline Derivatives For Inhibiting Cancer Cell Growth And Method For The Preparation Thereof HANMI PHARM CO., LTD (KR) 2008-01-10 US claimed
CN-101094840-A Quinazoline derivatives for inhibiting the growth of cancer cells and methods for preparing the same HANMI PHARM IND CO LTD (KR) 2007-12-26 CN claimed
EP-1844022-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF Hanmi Pharm. Co., Ltd. (KR) 2007-10-17 EP claimed
WO-2006127207-A1 METHODS OF SYNTHESIZING SUBSTITUTED 3-CYANOQUINOLINES AND INTERMEDIATES THEREOF WYETH (US) 2006-11-30 WO claimed
US-20060270668-A1 Methods of synthesizing substituted 3-cyanoquinolines and intermediates thereof WYETH (US) 2006-11-30 US claimed
WO-2006071017-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2006-07-06 WO claimed
WO-2006071079-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2006-07-06 WO claimed

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-20060270668-A1 Methods of synthesizing substituted 3-cyanoquinolines and intermediates thereof HCCS, CYP3A7, QPCT SYK 2178/4885AURKB 301/4885INCENP 1509/4885
US-20080009509-A1 Quinazoline Derivatives For Inhibiting Cancer Cell Growth And Method For The Preparation Thereof MKI67, NQO2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SYK 1949/4885AURKB 366/4885INCENP 4567/4885
US-20150183764-A1 PROCESS FOR THE MANUFACTURE OF (E)-4-N,N-DIALKYLAMINO CROTONIC ACID IN HX SALT FORM AND USE THEREOF FOR SYNTHESIS OF EGFR TYROSINE KINASE INHIBITORS EGFR, ABL1, CSNK1A1 SYK 1188/4885AURKB 2577/4885INCENP 4478/4885
US-20130123232-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA SYK 2096/4885AURKB 4812/4885INCENP 4792/4885

“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.