Sugi Predict

Sugi Predict / Compounds / SCHEMBL4331570

SCHEMBL4331570

SCHEMBL4331570

Nc1cccc(C(=O)CBr)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 7/20 0.57
▸ PTPN1 P18031 5/20 0.57
▸ PBRM1 Q86U86 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ NPC1 O15118 1/20 0.47
▸ MITF O75030 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ F2 P00734 1/20 0.47
▸ PLG P00747 1/20 0.47
▸ PRSS1 P07477 1/20 0.47
▸ PRSS2 P07478 1/20 0.47
▸ PRSS3 P35030 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ KDM4C Q9H3R0 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CASP1 P29466 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
Bromide SCHEMBL556148 0.98 GSK3B (0.55) GSK3BPTPN1PBRM1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL27868766 0.98 GSK3B (0.55) GSK3BPTPN1PBRM1KDM4EALDH1A1
SCHEMBL9409741 0.85 GSK3B (0.70) GSK3BPTPN1KDM4ESMN1; SMN2CYP3A4
SCHEMBL1538686 0.85 PBRM1 (0.52) GSK3BPTPN1PBRM1KDM4EALDH1A1
SCHEMBL28359889 0.83 PBRM1 (0.59) PBRM1KDM4EALDH1A1NPC1MITF
SCHEMBL3373649 0.82 PBRM1 (0.57) PBRM1KDM4EALDH1A1NPC1MITF
SCHEMBL633209 0.82 PBRM1 (0.57) PBRM1KDM4EALDH1A1NPC1MITF
SCHEMBL7911303 0.80 ALDH1A1 (0.57) GSK3BPBRM1KDM4EALDH1A1NPC1
SCHEMBL2208370 0.80 PBRM1 (0.55) PBRM1KDM4EALDH1A1NPC1MITF
Hydrochloric Acid SCHEMBL925930 0.80 PBRM1 (0.55) PBRM1KDM4EALDH1A1NPC1MITF

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640502-B2 Therapeutic targeting of interleukin-1 receptor-associated kinase 4 (IRAK4) in cancers characterized by rearrangements in the mixed lineage leukemia gene (MLL-r) NORTHWESTERN UNIVERSITY (US) 2020-05-05 — — US disclosed
US-20170305901-A1 THERAPEUTIC TARGETING OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 (IRAK4) IN CANCERS CHARACTERIZED BY REARRANGEMENTS IN THE MIXED LINEAGE LEUKEMIA GENE (MLL-r) NORTHWESTERN UNIVERSITY (US) 2017-10-26 — — US disclosed
EP-1740576-B1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES HOFFMANN LA ROCHE (CH) 2009-07-01 — — EP disclosed
EP-1740576-B1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES HOFFMANN LA ROCHE (CH) 2009-07-01 — — EP disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 — — US disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 — — US disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 — — US disclosed
EP-1740576-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. Hoffman-la Roche AG (CH) 2007-01-10 — — EP disclosed
WO-2005103034-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. HOFFMAN-LA ROCHE AG (CH) 2005-11-03 — — WO disclosed
US-20050239843-A1 Diaminothiazoles DING QINGJIE 2005-10-27 — — US disclosed
EP-1181283-B1 DIAMINOTHIAZOLES AND THEIR USE FOR INHIBITING PROTEIN KINASES AGOURON PHARMA (US) 2005-02-02 — — EP disclosed
EP-1368349-A1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-12-10 — — EP disclosed
US-6620828-B2 Antiproliferative agents AGOURON PHARMACEUTICALS, INC. 2003-09-16 — — US disclosed
WO-2002068420-A1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-06 — — WO disclosed
US-20020025976-A1 Thiazole compounds and pharmaceutical compositions for inhibiting protein kinases and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-02-28 — — US disclosed
EP-1181283-A1 DIAMINOTHIAZOLES AND THEIR USE FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-02-27 — — EP disclosed
WO-2000075120-A1 DIAMINOTHIAZOLES AND THEIR USE FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2000-12-14 — — 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-20050239843-A1 Diaminothiazoles CDK4, CDK2, CDK1 GSK3B 633/4885PTPN1 1297/4885PBRM1 456/4885
US-20020025976-A1 Thiazole compounds and pharmaceutical compositions for inhibiting protein kinases and methods for their use BRAF, CDK2, CHUK GSK3B 270/4885PTPN1 193/4885PBRM1 1347/4885
US-20170305901-A1 THERAPEUTIC TARGETING OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 (IRAK4) IN CANCERS CHARACTERIZED BY REARRANGEMENTS IN THE MIXED LINEAGE LEUKEMIA GENE (MLL-r) IRAK4, IRAK1, IRAK2 GSK3B 1225/4885PTPN1 1169/4885PBRM1 99/4885
US-10640502-B2 Therapeutic targeting of interleukin-1 receptor-associated kinase 4 (IRAK4) in cancers characterized by rearrangements in the mixed lineage leukemia gene (MLL-r) IRAK4, IRAK1, IRAK2 GSK3B 1225/4885PTPN1 1169/4885PBRM1 99/4885

“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.