Sugi Predict

Sugi Predict / Compounds / SCHEMBL2099440

SCHEMBL2099440

SCHEMBL2099440

CS(=O)(=O)CCNCc1nc(-c2ccc3ncnc(Nc4ccc5c(cnn5Cc5ccccc5)c4)c3c2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 1.00
▸ ERBB2 P04626 12/20 0.81
▸ MEN1 O00255 3/20 0.63
▸ MAPK1 P28482 3/20 0.63
▸ KMT2A Q03164 3/20 0.63
▸ ALDH1A1 P00352 2/20 0.62
▸ CYP3A4 P08684 2/20 0.62
▸ MAPT P10636 2/20 0.62
▸ ALOX15 P16050 2/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ RGS12 O14924 1/20 0.53
▸ GMNN O75496 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ RAF1 P04049 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ HPGD P15428 1/20 0.53

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
SCHEMBL2100413 0.94 EGFR (0.90) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL2102363 0.93 EGFR (0.86) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL2103353 0.91 EGFR (0.83) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL2100018 0.89 EGFR (0.80) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL2100531 0.89 ERBB2 (0.81) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL2101155 0.88 EGFR (0.79) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL2101727 0.88 ERBB2 (0.80) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL4534484 0.87 ERBB2 (0.78) EGFRERBB2MEN1MAPK1KMT2A
Hydrochloric Acid SCHEMBL8367720 0.86 ERBB2 (0.77) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL2103448 0.86 ERBB2 (0.79) EGFRERBB2MEN1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050148607-A1 Preventives and/or remedies for subjects with the expression or activation of her2 and/or egfr MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-07-07 — — US claimed
EP-1510221-A1 PREVENTIVES AND/OR REMEDIES FOR SUBJECTS WITH THE EXPRESSION OR ACTIVATION OF HER2 AND/OR EGFR Mitsubishi Pharma Corporation (JP) 2005-03-02 — — EP claimed
JP-3390741-B2 — — 2003-03-31 — — JP claimed
JP-2002500225-A — — 2002-01-08 — — JP claimed
CN-1292788-A Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LTD (GB) 2001-04-25 — — CN claimed
EP-1047694-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-11-02 — — EP claimed
WO-1999035146-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-07-15 — — WO claimed
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2016-11-24 — — US disclosed
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2016-11-24 — — US disclosed
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2016-11-24 — — US disclosed
US-20160303127-A1 COMBINATION THERAPY WITH C-MET AND EGFR ANTAGONISTS GENENTECH INC (US) 2016-10-20 — — US disclosed
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2016-02-25 — — US disclosed
US-9199973-B2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2015-12-01 — — US disclosed
US-6713485-B2 ANTIPROLIFERATIVE AGENTS; SIDE EFFECT REDUCTION SMITHKLINE BEECHAM CORPORATION 2004-03-30 — — US disclosed
CN-1134438-C Bicyclic heteroaromatic compounds, preparation method and use thereof �ձ���ҩ��ʽ���� 2004-01-14 — — CN disclosed
US-20030176451-A1 Reacting a heterocyclic-methanesulfonyl substituted-quinazolineamine compound with amine compound LEO OSPREY LIMITED (GB) 2003-09-18 — — US disclosed
US-20020147205-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 — — US disclosed
CN-1292788-A Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LTD (GB) 2001-04-25 — — CN disclosed
EP-1047694-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-11-02 — — EP disclosed
WO-1999035146-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-07-15 — — 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 (6 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-20030176451-A1 Reacting a heterocyclic-methanesulfonyl substituted-quinazolineamine compound with amine compound CCNH, HRH2, HRH1 EGFR 3409/4885ERBB2 2282/4885MEN1 215/4885
US-20020147205-A1 Heterocyclic compounds ERBB2, ERBB3, ERBB4 EGFR 4/4885ERBB2 1/4885MEN1 3421/4885
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC EGFR 7/4885ERBB2 2/4885MEN1 2579/4885
US-20050148607-A1 Preventives and/or remedies for subjects with the expression or activation of her2 and/or egfr EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885MEN1 3154/4885
US-20160303127-A1 COMBINATION THERAPY WITH C-MET AND EGFR ANTAGONISTS MET, EGFR, ERBB2 EGFR 2/4885ERBB2 3/4885MEN1 530/4885
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC EGFR 7/4885ERBB2 2/4885MEN1 2579/4885

“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.