SCHEMBL999991

SCHEMBL999991

Cc1cc(Br)cc(Cl)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.41
CYP3A4 P08684 5/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
NMT1 P30419 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 2/20 0.34
GAA P10253 2/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32

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
SCHEMBL29617503 1.00 CD44 (0.41) CD44CYP3A4ALDH1A1TSHRTP53
Bromide SCHEMBL2026165 0.98 CD44 (0.39) CD44CYP3A4ALDH1A1TSHRTP53
SCHEMBL1004957 0.82 CYP3A4 (0.58) CYP3A4ALDH1A1TSHRTP53TDP1
SCHEMBL146892 0.82 ALDH1A1 (0.58) CD44CYP3A4ALDH1A1TSHRTP53
SCHEMBL698002 0.80 KDM4E (0.45) CD44CYP3A4ALDH1A1TSHRTP53
Hydrochloric Acid SCHEMBL8367686 0.79 CYP3A4 (0.55) CYP3A4ALDH1A1TSHRTDP1CA1
SCHEMBL8354359 0.77 NMT1 (0.39) CD44CYP3A4ALDH1A1TP53NMT1
SCHEMBL20658401 0.76 ALDH1A1 (0.40) CD44CYP3A4ALDH1A1CA1CA2
SCHEMBL981236 0.75 CYP3A4 (0.40) CD44CYP3A4ALDH1A1TSHRNMT1
SCHEMBL17488259 0.75 ALDH1A1 (0.43) CD44CYP3A4ALDH1A1TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417125-B1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-09-09 EP claimed
US-8772280-B2 N-aryl-2-(2-arylaminopyrimidin-4-yl)pyrrol-4-carboxamide derivatives as MPS1 kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-07-08 US claimed
WO-2010108921-A1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-09-30 WO claimed
EP-1066269-B1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2005-05-11 EP claimed
CN-1157386-C Trisubstituted 1,3,5-triazine derivatives for treatment by HIV infections ղɭҩҵ���޹�˾ 2004-07-14 CN claimed
US-20020115668-A1 Trisubstituted 1,3,5-triazine derivatives DAEYAERT FREDERIK FRANS DESIRE (BE) 2002-08-22 US claimed
CN-1295566-A Trisubstituted 1,3,5-triazine derivatives for treatment by HIV infections JANSSEN PHARMACEUTICA NV (BE) 2001-05-16 CN claimed
EP-1066269-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-10 EP claimed
US-6150360-A ADMINISTERING TO A PATIENT SUFFERING FROM HUMAN IMMUNODEFICIENCY VIRUS INFECTION A TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVE JANSSEN PHARMACEUTICA N.V. (BE) 2000-11-21 US claimed
WO-1999050256-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-07 WO claimed
CN-119912402-A FTO inhibitor and preparation method and application thereof 中国科学院上海药物研究所 2025-05-02 CN disclosed
CN-116601265-B Aromatic isothiocyanates 默克专利股份有限公司 2025-02-25 CN disclosed
US-12162870-B2 Anticancer compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-12-10 US disclosed
CN-111825558-B Novel compound and organic light-emitting device 乐金显示有限公司 2024-05-03 CN disclosed
CN-117794525-A Anticancer compounds 加利福尼亚大学董事会 2024-03-29 CN disclosed
US-4233055-A Quaternary ammonioalkanecarboxylic acid anilides as plant growth influencing agents CIBA-GEIGY CORPORATION (US) 1980-11-11 US disclosed
US-4203920-A ANTIDIARRHEAL WILLIAM H. RORER, INC. (US) 1980-05-20 US disclosed
US-4147804-A ANTIARRHYTHMIA AGENTS WILLIAM H. RORER, INC. (US) 1979-04-03 US disclosed
US-4141718-A ANTIGROWTH AGENTS FOR PLANTS CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed
US-4060635-A Amidinoureas for treating diarrhea WILLIAM H. RORER, INC. (US) 1977-11-29 US 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 (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-20020115668-A1 Trisubstituted 1,3,5-triazine derivatives XDH, CCR5, CXCR1 CD44 4839/4885CYP3A4 174/4885ALDH1A1 3722/4885
US-12162870-B2 Anticancer compounds BET1, BRD4, BICRA CD44 4087/4885CYP3A4 3755/4885ALDH1A1 3346/4885

“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.