SCHEMBL524221

SCHEMBL524221

N#Cc1cc(F)c(Cl)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.43
GPR35 Q9HC97 1/20 0.38
KHK P50053 1/20 0.36
TTR P02766 2/20 0.36
ALB P02768 2/20 0.36
TRPV4 Q9HBA0 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNJ6 P48051 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
KIF11 P52732 1/20 0.34
EGLN2 Q96KS0 2/20 0.34
HTR7 P34969 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL9710858 0.88 VCAM1 (0.39) VCAM1GPR35KHKTTRALB
SCHEMBL31314216 0.84 KHK (0.39) VCAM1GPR35KHKTTRALB
SCHEMBL3171877 0.81 KIF11 (0.46) VCAM1TRPV4MEN1KMT2AKIF11
SCHEMBL29891425 0.78 GRM5 (0.43) VCAM1KHKTTRALBTRPV4
SCHEMBL8463144 0.78 GRM5 (0.43) VCAM1KHKTTRALBTRPV4
SCHEMBL157603 0.78 CES2 (0.42) VCAM1TTRALBTRPV4MEN1
SCHEMBL9899802 0.77 VCAM1 (0.77) VCAM1GPR35MEN1KMT2AALDH1A1
SCHEMBL6649045 0.76 TRPV4 (0.61) VCAM1TTRALBTRPV4MEN1
SCHEMBL10120483 0.75 KCNJ6 (0.40) VCAM1TTRALBKCNJ6KCNJ5
SCHEMBL10120595 0.75 CA1 (0.44) VCAM1KHKKCNJ6KCNJ5KCNJ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2023-07-20 US disclosed
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2023-07-20 US disclosed
US-20220389029-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2022-12-08 US disclosed
WO-2021052499-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海济煜医药科技有限公司 2021-03-25 WO disclosed
US-9187478-B2 Substituted naphthyridines and their use as medicaments Boehringer Ingellheim International GmbH (DE) 2015-11-17 US disclosed
EP-2528915-B1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-05-07 US disclosed
US-8969568-B2 Substituted naphthyridines and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2015-03-03 US disclosed
CN-102822172-A Substituted naphthyridines and their use as syk kinase inhibitors BOEHRINGER INGELHEIM INT 2012-12-12 CN disclosed
EP-2528915-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2012-12-05 EP disclosed
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011092128-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed
EP-1140735-A1 PREPARATION OF NUCLEAR CHLORINATED AROMATIC COMPOUNDS OCCIDENTAL CHEMICAL CORPORATION (US) 2001-10-10 EP disclosed
WO-2000040524-A1 PREPARATION OF NUCLEAR CHLORINATED AROMATIC COMPOUNDS OCCIDENTAL CHEMICAL CORPORATION (US) 2000-07-13 WO disclosed
US-5981789-A CHLORODENITRATING AROMATIC COMPOUNDS USING LESS CHLORINATING AGENT AND LOWER TEMPERATURES, THEN RECYCLING THE PRODUCT MIXTURE TO INCREASE THE YIELD OCCIDENTAL CHEMICAL CORPORATION (US) 1999-11-09 US disclosed
US-4704483-A FLUORINATION WITH POTASSIUM FLUORIDE OCCIDENTAL CHEMICAL CORPORATION (US) 1987-11-03 US disclosed
US-4582948-A VAPOR PHASE CHLORO-DENITRATION REACTION OCCIDENTAL CHEMICAL CORPORATION (US) 1986-04-15 US disclosed
EP-0159388-A2 Preparation of nuclear chlorinated compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1985-10-30 EP 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-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 VCAM1 3637/4885GPR35 1865/4885KHK 2945/4885
US-20220389029-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, WEE1 VCAM1 3600/4885GPR35 2356/4885KHK 2460/4885
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, WEE1 VCAM1 3600/4885GPR35 2356/4885KHK 2460/4885
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 VCAM1 3637/4885GPR35 1865/4885KHK 2945/4885

“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.