SCHEMBL1706682

SCHEMBL1706682

O=[N+]([O-])c1cccc(Oc2nc(Cl)ncc2Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 11/20 0.59
ABCG2 Q9UNQ0 1/20 0.52
EGFR P00533 1/20 0.50
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
F10 P00742 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42

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
Bicarbonate SCHEMBL1707063 0.94 PIN1 (0.54) PIN1ABCG2EGFRALDH1A1LMNA
Bicarbonate SCHEMBL1707062 0.94 PIN1 (0.54) PIN1ABCG2EGFRALDH1A1LMNA
Bicarbonate SCHEMBL1707061 0.93 PIN1 (0.53) PIN1ABCG2EGFRALDH1A1LMNA
SCHEMBL21358342 0.87 PIN1 (0.57) PIN1ABCG2EGFRALDH1A1LMNA
SCHEMBL12519771 0.87 PIN1 (0.57) PIN1ABCG2ALDH1A1LMNAGAA
SCHEMBL16370549 0.85 PIN1 (0.64) PIN1ABCG2EGFRALDH1A1LMNA
SCHEMBL30672838 0.85 PIN1 (0.64) PIN1ABCG2EGFRALDH1A1LMNA
SCHEMBL1707043 0.83 PIN1 (0.58) PIN1EGFRLMNAMAPTKMT2A
SCHEMBL23243727 0.81 ABCG2 (0.54) PIN1ABCG2EGFRALDH1A1LMNA
SCHEMBL10847463 0.80 LMNA (0.56) PIN1ABCG2EGFRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105777652-A Method for preparing 2,5-dichloro-4-(3-nitrophenoxy) pyrimidine 戊言医药科技(上海)有限公司 2016-07-20 CN claimed
EP-4745127-A1 PYRIMIDINAMINE NUAK INHIBITOR AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF Technoderma Medicines Inc. (CN) 2026-05-20 EP disclosed
WO-2025011444-A1 PYRIMIDINAMINE NUAK INHIBITOR AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 特科罗生物科技(成都)有限公司 2025-01-16 WO disclosed
EP-3036231-B1 SUBSTITUTED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF JUBILANT BIOSYS LTD (IN) 2020-02-26 EP disclosed
CN-106916112-B Pyrimidine derivative, preparation method and medical application thereof 四川海思科制药有限公司 2019-12-20 CN disclosed
US-10351540-B2 1,2-dithiolane and dithiol compounds useful in treating mutant EGFR-mediated diseases and conditions SABILA BIOSCIENCES LLC (US) 2019-07-16 US disclosed
US-10351540-B2 1,2-dithiolane and dithiol compounds useful in treating mutant EGFR-mediated diseases and conditions SABILA BIOSCIENCES LLC (US) 2019-07-16 US disclosed
US-10273224-B2 Substituted pyrimidine compounds, compositions and medicinal applications thereof JUBILANT BIOSYS LIMITED (IN) 2019-04-30 US disclosed
US-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders DANA-FARBER CANCER INSTITUTE, INC. 2019-02-07 US disclosed
US-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders DANA-FARBER CANCER INSTITUTE, INC. 2019-02-07 US disclosed
WO-2013169401-A1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD PHARMACEUTICALS, INC. (US) 2013-11-14 WO disclosed
US-20120316135-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers ARIAD PHARMACEUTICALS, INC. (US) 2012-12-13 US disclosed
US-20120316135-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers ARIAD PHARMACEUTICALS, INC. (US) 2012-12-13 US disclosed
WO-2012151561-A1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD PHARMACEUTICALS, INC. (US) 2012-11-08 WO disclosed
US-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 US disclosed
US-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 US disclosed
US-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 US disclosed
EP-2440559-A2 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS Dana-Farber Cancer Institute, Inc. (US) 2012-04-18 EP disclosed
WO-2010129053-A2 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INSTITUTE (US) 2010-11-11 WO disclosed
WO-2010129053-A2 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INSTITUTE (US) 2010-11-11 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 (5 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-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS EGFR, ERBB2, ERBB4 PIN1 264/4885ABCG2 722/4885EGFR 1/4885
US-20120316135-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers EGFR, MKI67, ERBB2 PIN1 788/4885ABCG2 811/4885EGFR 1/4885
US-10351540-B2 1,2-dithiolane and dithiol compounds useful in treating mutant EGFR-mediated diseases and conditions EGFR, BRCA1, PTPRJ PIN1 925/4885ABCG2 3237/4885EGFR 1/4885
US-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders EGFR, ERBB2, ERBB4 PIN1 264/4885ABCG2 722/4885EGFR 1/4885
US-10273224-B2 Substituted pyrimidine compounds, compositions and medicinal applications thereof TYMP, EGFR, TK1 PIN1 863/4885ABCG2 13/4885EGFR 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.