SCHEMBL316424

SCHEMBL316424

Cc1[nH]nc(C(F)(F)F)c1Br

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR2F2 P24468 1/20 0.38
IKBKB O14920 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
DHODH Q02127 1/20 0.33
P2RX7 Q99572 2/20 0.32
DYRK1A Q13627 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
SCHEMBL12124198 0.76 DYRK1A (0.46) NR2F2IKBKBMAPTKDM4EPOLB
SCHEMBL13683080 0.76 DYRK1A (0.31) DYRK1A
SCHEMBL13162514 0.74 HCAR2 (0.42) NR2F2IKBKBMAPTKDM4EPOLB
SCHEMBL17305931 0.74 L3MBTL1 (0.32)
SCHEMBL9261784 0.73 NR2F2 (0.38) NR2F2IKBKBMAPTKDM4EPOLB
SCHEMBL13162512 0.73 NR2F2 (0.38) NR2F2IKBKBMAPTKDM4EPOLB
SCHEMBL1120066 0.73 NR2F2 (0.41) NR2F2IKBKBMAPTKDM4EPOLB
SCHEMBL19126608 0.73 NR2F2 (0.32) NR2F2
SCHEMBL13162566 0.73 IKBKB (0.41) NR2F2IKBKBMAPTKDM4EPOLB
SCHEMBL14487631 0.72 HCAR2 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115551860-B 2,4, 6-Trisubstituted pyrimidine compounds as ATR kinase inhibitors 北京泰德制药股份有限公司 2024-12-06 CN disclosed
CN-115135659-B Morpholine derivative, and preparation method and application thereof 深圳微芯生物科技股份有限公司 2024-03-12 CN disclosed
US-20230391752-A1 PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AND RELATED USES CHULALONGKORN UNIVERSITY (TH) 2023-12-07 US disclosed
US-20230212160-A1 2,4,6-TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AS ATR KINASE INHIBITORS BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2023-07-06 US disclosed
US-20230212160-A1 2,4,6-TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AS ATR KINASE INHIBITORS BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2023-07-06 US disclosed
EP-4155307-A1 2,4,6-TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AS ATR KINASE INHIBITORS Beijing Tide Pharmaceutical Co., Ltd. (CN) 2023-03-29 EP disclosed
US-20230037448-A1 FLUORINATED QUINOLINE AND QUINOXALINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES NOVIRA THERAPEUTICS, LLC 2023-02-09 US disclosed
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
CN-115551860-A 2,4, 6-trisubstituted pyrimidine compounds as ATR kinase inhibitors 北京泰德制药股份有限公司 2022-12-30 CN disclosed
CN-115135659-A Morpholine derivatives and preparation method and application thereof 深圳微芯生物科技股份有限公司 2022-09-30 CN disclosed
WO-2005061463-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-07-07 WO disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 WO disclosed
EP-1531822-A1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS Chemocentryx, Inc. (US) 2005-05-25 EP disclosed
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) GLAXO GROUP LIMITED (GB) 2004-09-09 US disclosed
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 US disclosed
US-20040082571-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2004-04-29 US disclosed
EP-1383747-A1 FUSED PYRIMIDINES AS ANTAGONISTS OF THE CORTICOTROPIN RELEASING FACTOR (CRF) GLAXO GROUP LIMITED (GB) 2004-01-28 EP disclosed
WO-2003105853-A1 1-ARYL-4-SUBSTITUTED PIPERAZINES DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX, INC. (US) 2003-12-24 WO disclosed
WO-2002088095-A1 FUSED PYRIMIDINES AS ANTAGONISTS OF THE CORTICOTROPIN RELEASING FACTOR (CRF) GLAXO GROUP LIMITED (GB) 2002-11-07 WO disclosed
US-3957480-A HERBICIDES THE UPJOHN COMPANY (US) 1976-05-18 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 (7 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-20230391752-A1 PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AND RELATED USES GLS2, PYGL, CPS1 NR2F2 4405/4885IKBKB 1317/4885MAPT 3568/4885
US-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 NR2F2 310/4885IKBKB 1307/4885MAPT 3524/4885
US-20230212160-A1 2,4,6-TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 NR2F2 1716/4885IKBKB 672/4885MAPT 2003/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 NR2F2 310/4885IKBKB 1307/4885MAPT 3524/4885
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) CRH, CRHR1, CRHR2 NR2F2 326/4885IKBKB 1295/4885MAPT 3273/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN NR2F2 3264/4885IKBKB 1454/4885MAPT 1399/4885
US-20230037448-A1 FLUORINATED QUINOLINE AND QUINOXALINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES DHODH, NQO2, DPYD NR2F2 2772/4885IKBKB 1018/4885MAPT 3415/4885

“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.