SCHEMBL20158848

SCHEMBL20158848

Cc1cccc(-c2nn(C3CC3)cc2-c2ccnc(-c3ccc(S(C)(=O)=O)cc3)c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 1.00
MAPK14 Q16539 9/20 1.00
KDR P35968 8/20 1.00
RIPK2 O43353 1/20 0.93
THRB P10828 1/20 0.45

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
SCHEMBL20158959 0.96 TGFBR1 (1.00) TGFBR1MAPK14KDRRIPK2THRB
SCHEMBL20158913 0.96 TGFBR1 (1.00) TGFBR1MAPK14KDRRIPK2THRB
SCHEMBL20158915 0.92 TGFBR1 (0.85) TGFBR1MAPK14KDRRIPK2THRB
SCHEMBL21315502 0.91 TGFBR1 (0.82) TGFBR1MAPK14KDRRIPK2THRB
SCHEMBL21325558 0.91 TGFBR1 (0.82) TGFBR1MAPK14KDRRIPK2THRB
SCHEMBL20158957 0.91 TGFBR1 (0.82) TGFBR1MAPK14KDRRIPK2THRB
SCHEMBL21315503 0.91 TGFBR1 (0.82) TGFBR1MAPK14KDRRIPK2THRB
SCHEMBL20158910 0.91 TGFBR1 (0.82) TGFBR1MAPK14KDRRIPK2THRB
SCHEMBL21315498 0.90 TGFBR1 (1.00) TGFBR1MAPK14KDRRIPK2THRB
SCHEMBL20158955 0.90 TGFBR1 (1.00) TGFBR1MAPK14KDRRIPK2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108779100-B 3, 4-dipyridyl pyrazole derivatives, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-11-16 CN disclosed
US-10899741-B2 3,4-bipyridyl pyrazole derivative, and preparation method therefor and medical application thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-01-26 US disclosed
EP-3539957-A1 3,4-BIPYRIDYL PYRAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL APPLICATION THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2019-09-18 EP disclosed
EP-3539957-A1 3,4-BIPYRIDYL PYRAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL APPLICATION THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2019-09-18 EP disclosed
US-20190270724-A1 3,4-BIPYRIDYL PYRAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL APPLICATION THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-09-05 US disclosed
US-20190270724-A1 3,4-BIPYRIDYL PYRAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL APPLICATION THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-09-05 US disclosed
WO-2018086609-A1 3,4-BIPYRIDYL PYRAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL APPLICATION THEREOF 江苏恒瑞医药股份有限公司 2018-05-17 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 (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-10899741-B2 3,4-bipyridyl pyrazole derivative, and preparation method therefor and medical application thereof TGFBR1, TGFB1, TGFB2 TGFBR1 1/4885MAPK14 521/4885KDR 306/4885
US-20190270724-A1 3,4-BIPYRIDYL PYRAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL APPLICATION THEREOF TGFBR1, TGFB1, TGFB2 TGFBR1 1/4885MAPK14 521/4885KDR 306/4885

“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.