SCHEMBL20158844

SCHEMBL20158844

Cc1cccc(-c2nn(C3CCC3)cc2Br)n1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 16/20 0.50
MAPK14 Q16539 6/20 0.50
KDR P35968 3/20 0.50
RIPK2 O43353 1/20 0.50
CCR1 P32246 1/20 0.40
CCR8 P51685 1/20 0.40
THRB P10828 5/20 0.38
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL21325565 0.97 TGFBR1 (0.50) TGFBR1MAPK14KDRRIPK2CCR1
SCHEMBL20158579 0.94 TGFBR1 (0.48) TGFBR1MAPK14KDRRIPK2CCR1
SCHEMBL20158573 0.85 TGFBR1 (0.39) TGFBR1MAPK14KDRRIPK2CCR1
SCHEMBL21325472 0.84 TGFBR1 (0.39) TGFBR1MAPK14KDRRIPK2CCR1
SCHEMBL21375738 0.84 TGFBR1 (0.39) TGFBR1MAPK14KDRRIPK2CCR1
SCHEMBL20158907 0.84 TGFBR1 (0.39) TGFBR1MAPK14KDRRIPK2CCR1
SCHEMBL30744831 0.80 TGFBR1 (0.38) TGFBR1MAPK14KDRRIPK2CCR1
SCHEMBL19806360 0.75 TGFBR1 (0.55) TGFBR1MAPK14CCR1CCR8THRB
SCHEMBL21315508 0.74 CCR1 (0.48) TGFBR1MAPK14KDRRIPK2CCR1
SCHEMBL20158889 0.71 CCR1 (0.48) TGFBR1MAPK14KDRRIPK2CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (1 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-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.