SCHEMBL20158975

SCHEMBL20158975

Cc1cccc(-c2ccn(C3COC3)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.47
CCR8 P51685 1/20 0.47
METAP2 P50579 1/20 0.36
TGFBR1 P36897 6/20 0.35
JAK2 O60674 2/20 0.35
TYK2 P29597 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP2A6 P11509 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
BRD9 Q9H8M2 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32
GRM5 P41594 1/20 0.32
THRB P10828 1/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 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
SCHEMBL20158909 0.89 CCR1 (0.42) CCR1CCR8METAP2TGFBR1HRH3
SCHEMBL21325568 0.89 CCR1 (0.42) CCR1CCR8METAP2TGFBR1HRH3
SCHEMBL28616778 0.89 CCR1 (0.42) CCR1CCR8METAP2TGFBR1HRH3
SCHEMBL21325560 0.86 CCR1 (0.52) CCR1CCR8METAP2TGFBR1CYP2A6
SCHEMBL20158889 0.84 CCR1 (0.48) CCR1CCR8METAP2TGFBR1MAPK1
SCHEMBL21315508 0.84 CCR1 (0.48) CCR1CCR8METAP2TGFBR1CYP2A6
SCHEMBL15034188 0.76 MAPT (0.33) PIM1
SCHEMBL20158573 0.75 TGFBR1 (0.39) CCR1CCR8TGFBR1THRB
SCHEMBL30744730 0.74 CCR1 (0.41) CCR1CCR8METAP2TGFBR1HRH3
SCHEMBL26108472 0.73 KMT2A (0.47) JAK2TYK2MAPK1

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 4 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
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 CCR1 2787/4885CCR8 2308/4885METAP2 561/4885

“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.