SCHEMBL159290

SCHEMBL159290

Nc1ccc(F)c(Cl)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TSHR P16473 5/20 0.40
CYP3A4 P08684 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALOX15 P16050 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TNF P01375 1/20 0.35
RIPK1 Q13546 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
MCL1 Q07820 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL29658929 1.00 ALDH1A1 (0.40) ALDH1A1TSHRCYP3A4TDP1ALOX15
Aniline SCHEMBL27735093 0.87 TSHR (0.44) ALDH1A1TSHRCYP3A4TDP1ALOX15
SCHEMBL31066559 0.81 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4TDP1ALOX15
SCHEMBL3287160 0.81 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4TDP1ALOX15
SCHEMBL159338 0.79 TSHR (0.39) ALDH1A1TSHRCYP3A4TDP1ALOX15
SCHEMBL2505365 0.79 ALDH1A1 (0.40) ALDH1A1TSHRCYP3A4TDP1ALOX15
SCHEMBL29435968 0.79 TSHR (0.39) ALDH1A1TSHRCYP3A4TDP1ALOX15
SCHEMBL8375067 0.79 ALDH1A1 (0.40) ALDH1A1TSHRCYP3A4TDP1ALOX15
SCHEMBL31289362 0.77 TNF (0.41) TSHRTNFRIPK1IDO1TDO2
SCHEMBL2046247 0.77 TNF (0.41) TSHRTNFRIPK1IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105801429-B A kind of preparation method of the chloro- 2,4 difluorobenzene amine of 3,5- bis- 安徽新北卡化学有限公司 2019-09-24 CN claimed
EP-2611797-B1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO LTD (KR) 2016-12-28 EP claimed
CN-105801429-A Preparation method for 3,5,-dichloro-2,4,-difluoroaniline 上海北卡医药技术有限公司 2016-07-27 CN claimed
CN-103237801-B Quinoline or quinazoline derivatives having apoptosis-inducing activity on cells HANMI HOLDINGS Co.,Ltd. (KR) 2015-11-25 CN claimed
US-8835458-B2 Quinoline or quinazoline derivatives with apoptosis inducing activity on cells HANMI SCIENCE CO., LTD (KR) 2014-09-16 US claimed
CN-102617360-B Synthetic method of 3, 5-dichloro-2, 4-difluoroaniline JIANGXI JIXIANG PHARMACEUTICAL CO LTD 2013-11-06 CN claimed
EP-2611797-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS Hanmi Science Co., Ltd. (KR) 2013-07-10 EP claimed
US-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO., LTD (KR) 2013-06-27 US claimed
CN-102617360-A Synthetic method of 3, 5-dichloro-2, 4-difluoroaniline JIANGXI JIXIANG PHARMACEUTICAL CO LTD 2012-08-01 CN claimed
WO-2012030160-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI HOLDINGS CO., LTD. (KR) 2012-03-08 WO claimed
US-20070293490-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2007-12-20 US claimed
JP-2007523072-A 2007-08-16 JP claimed
CN-1903838-A Preparation method of benzoyl area kind derivative UNIV ZHEJIANG POLYTECHNIC (CN) 2007-01-31 CN claimed
EP-1713781-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-10-25 EP claimed
CN-1267402-C Synthetic method for 3,5-dichloro-2,4-difluoronitrobenzene and teflubenzuron UNIV ZHEJIANG TECHNOLOGY (CN) 2006-08-02 CN claimed
CN-1683318-A Synthetic method for 3,5-dichloro-2,4-difluoronitrobenzene and teflubenzuron UNIV ZHEJIANG POLYTECHNIC (CN) 2005-10-19 CN claimed
WO-2005075439-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-08-18 WO claimed
US-6372030-B1 INK VEHICLE SELECTED FROM 4-(HEXADECYLAMINO)BENZYLAMINE, N-OCTANOYL-N-METHYL GLUCAMINE, OCTANOIC HYDRAZIDE, 4-HEXADECYL SULFONYL ANILINE, A CONDUCTIVE COMPLEX OF AN AMINE COMPOUND WITH A PHOSPHORUS OR SULFUR-CONTAINING ACID XEROX CORPORATION 2002-04-16 US claimed
US-5897940-A Ink jet transparencies XEROX CORPORATION (US) 1999-04-27 US claimed
US-5744273-A Laminatable backing substrates containing fluoro compounds for improved toner flow XEROX CORPORATION (US) 1998-04-28 US 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 (2 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-20070293490-A1 Quinazoline Derivatives CCNA1, CCND3, CCND2 ALDH1A1 1976/4885TSHR 1605/4885CYP3A4 305/4885
US-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS CASP7, API5, BAX ALDH1A1 4307/4885TSHR 4776/4885CYP3A4 2789/4885

“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.