SCHEMBL17262018

SCHEMBL17262018

Clc1nccc(-c2cn3c4c(cccc24)CCC3)n1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
EGFR P00533 10/20 0.44
KCNH2 Q12809 1/20 0.42
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37

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
SCHEMBL18202253 0.81 EGFR (0.39) EGFR
SCHEMBL18958985 0.80 EGFR (0.44) HTR2AHTR2CEGFRMTNR1AMTNR1B
SCHEMBL17270075 0.79 HTR2A (0.43) HTR2AHTR2CEGFRMTNR1AMTNR1B
SCHEMBL17270038 0.78 HTR2A (0.42) HTR2AHTR2CEGFRMTNR1AMTNR1B
SCHEMBL17270039 0.78 HTR2A (0.44) HTR2AHTR2CEGFRMTNR1AMTNR1B
SCHEMBL17261896 0.78 HTR2A (0.42) HTR2AHTR2CEGFRMTNR1AMTNR1B
SCHEMBL17270034 0.77 EGFR (0.42) HTR2AHTR2CEGFR
SCHEMBL18958991 0.77 HTR2A (0.41) HTR2AHTR2CEGFRMTNR1AMTNR1B
SCHEMBL17261870 0.76 HTR2A (0.46) HTR2AHTR2CEGFRMTNR1AMTNR1B
SCHEMBL12475277 0.76 EGFR (0.46) HTR2AHTR2CEGFRKCNH2MTNR1A

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-20210053971-A1 CRYSTAL FORM OF MONOMETHANESULFONATE OF DEUTERATED 3-(4,5-SUBSTITUTED AMINOPYRIMIDINE)PHENYL COMPOUND AND PREPARATION METHOD THEREFOR NANJING CAREPHAR SHENGHUI PHARMACEUTICAL CO., LTD. (CN) 2021-02-25 US disclosed
EP-3498708-B1 DEUTERATED 3-(4,5-SUBSTITUTED PYRIMIDINAMINE) PHENYL DERIVATIVES AND APPLICATIONS THEREOF NANJING CHUANGTE PHARMACEUTICAL TECH CO LTD (CN) 2021-01-13 EP disclosed
US-10654851-B2 Deuterated 3-(4,5-substituted aminopyrimidine)phenyl derivatives and use thereof Nanjing Chuangte Pharmaceutical Technology Co., Ltd. (CN) 2020-05-19 US disclosed
CN-106687457-B Heteroaryl compounds for kinase inhibition 阿里亚德医药股份有限公司 2020-01-10 CN disclosed
WO-2019174623-A1 CRYSTAL FORM OF MONOMETHANESULFONATE OF DEUTERATED 3-(4,5-SUBSTITUTED AMINOPYRIMIDINE)PHENYL COMPOUND, AND PREPARATION METHOD THEREFOR 南京创特医药科技有限公司 2019-09-19 WO disclosed
US-20190225610-A1 DEUTERATED 3-(4,5-SUBSTITUTED AMINOPYRIMIDINE)PHENYL DERIVATIVES AND USE THEREOF Nanjing Chuangte Pharmaceutical Technology Co., Ltd (CN) 2019-07-25 US disclosed
EP-3498708-A1 DEUTERATED 3-(4,5-SUBSTITUTED PYRIMIDINAMINE) PHENYL DERIVATIVES AND APPLICATIONS THEREOF Nanjing Chuangte Pharmaceutical Technology Co., Ltd (CN) 2019-06-19 EP disclosed
EP-3143015-B1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMA INC (US) 2019-02-20 EP disclosed
EP-3143015-B1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMA INC (US) 2019-02-20 EP disclosed
US-20170166598-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2017-06-15 US disclosed
US-20170166598-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2017-06-15 US disclosed
US-20170166598-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2017-06-15 US disclosed
EP-3143015-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD Pharmaceuticals, Inc. (US) 2017-03-22 EP disclosed
WO-2016029839-A1 (SUBSTITUTED PHENYL) (SUBSTITUTED PYRIMIDINE) AMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICATION USE 四川海思科制药有限公司 2016-03-03 WO disclosed
WO-2015175632-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. (US) 2015-11-19 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-20210053971-A1 CRYSTAL FORM OF MONOMETHANESULFONATE OF DEUTERATED 3-(4,5-SUBSTITUTED AMINOPYRIMIDINE)PHENYL COMPOUND AND PREPARATION METHOD THEREFOR EGFR, WEE1, HDGF HTR2A 4141/4885HTR2C 2369/4885EGFR 1/4885
US-20190225610-A1 DEUTERATED 3-(4,5-SUBSTITUTED AMINOPYRIMIDINE)PHENYL DERIVATIVES AND USE THEREOF EGFR, ERBB2, ERBB4 HTR2A 2865/4885HTR2C 1677/4885EGFR 1/4885
US-10654851-B2 Deuterated 3-(4,5-substituted aminopyrimidine)phenyl derivatives and use thereof EGFR, ERBB2, ERBB4 HTR2A 2865/4885HTR2C 1677/4885EGFR 1/4885
US-20170166598-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 HTR2A 1220/4885HTR2C 735/4885EGFR 2/4885

“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.