SCHEMBL1202579

SCHEMBL1202579

CNC(=O)c1c(N)cccc1F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
CRBN Q96SW2 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
HDAC1 Q13547 1/20 0.44
JAK2 O60674 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
HTT P42858 1/20 0.41
NOD2 Q9HC29 1/20 0.41
PREP P48147 1/20 0.40
RAB9A P51151 2/20 0.40
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4145186 0.86 GAA (0.61) GAACES2CES1JAK2MEN1
SCHEMBL1203645 0.81 ITGB2 (0.47) CRBNCES2CES1HDAC1MEN1
SCHEMBL8424563 0.81 NPC1 (0.46) CRBNCES2CES1HDAC1MEN1
SCHEMBL8234056 0.81 CRBN (0.45) GAACRBNCES2CES1HDAC1
SCHEMBL14454108 0.79 GAA (0.53) GAACES2CES1JAK2MEN1
SCHEMBL2061352 0.79 CD44 (0.43) GAAJAK1TYK2RAB9ANPC1
SCHEMBL7456302 0.79 GAA (0.58) GAACES2CES1JAK2MEN1
SCHEMBL14454258 0.79 CES2 (0.52) GAACRBNCES2CES1HDAC1
SCHEMBL14454225 0.78 NPC1 (0.51) CRBNKMT2AHTTRAB9ANPC1
SCHEMBL15520067 0.78 HDAC8 (0.42) GAAKMT2AJAK1RAB9ANPC1

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
EP-2580207-B1 NITROGEN CONTAINING HETEROARYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-09-27 EP claimed
US-8703768-B2 Nitrogen containing heteroaryl compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 US claimed
US-8623866-B2 2014-01-07 US claimed
US-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 US claimed
US-20250127800-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE AND MEDICINAL USE THEREOF SIGNET THERAPEUTICS INC. (CN) 2025-04-24 US disclosed
EP-4450493-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE AND MEDICINAL USE THEREOF Signet Therapeutics Inc. (CN) 2024-10-23 EP disclosed
CN-117043151-A Pyrimidine or pyridine derivative and medical application thereof 希格生科(深圳)有限公司 2023-11-10 CN disclosed
WO-2023109751-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE AND MEDICINAL USE THEREOF 希格生科(深圳)有限公司 2023-06-22 WO disclosed
EP-2580207-B1 NITROGEN CONTAINING HETEROARYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-09-27 EP disclosed
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
US-20080182852-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE GLAXOSMITHKLINE LLC 2008-07-31 US disclosed
US-20080182852-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE GLAXOSMITHKLINE LLC 2008-07-31 US disclosed
US-20080182852-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE GLAXOSMITHKLINE LLC 2008-07-31 US disclosed
WO-2008092049-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE SMITHKLINE BEECHAM CORPORATION (US) 2008-07-31 WO disclosed
WO-2008092049-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE SMITHKLINE BEECHAM CORPORATION (US) 2008-07-31 WO disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed
US-7241769-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
US-7241769-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 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 (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-20080182852-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE AURKA, AURKC, AURKB GAA 2349/4885CRBN 3171/4885CES2 4692/4885
US-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS PDE10A, PDE3A, PDE2A GAA 963/4885CRBN 2403/4885CES2 241/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 GAA 2009/4885CRBN 4507/4885CES2 3660/4885
US-20250127800-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE AND MEDICINAL USE THEREOF PTK2, PDGFRB, PTK2B GAA 4846/4885CRBN 3127/4885CES2 4877/4885

“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.