SCHEMBL20099779

SCHEMBL20099779

Brc1ccccc1-c1cc(-c2ccncc2)[nH]n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
POLB P06746 1/20 0.50
GCGR P47871 1/20 0.49
MAPK14 Q16539 1/20 0.49
IDO1 P14902 1/20 0.42
ALOX15 P16050 3/20 0.42
ADORA3 P0DMS8 2/20 0.42
HPGDS O60760 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 5/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL28190516 0.89 RAB9A (0.65) RAB9APOLBIDO1ALOX15ADORA3
SCHEMBL20099873 0.84 CYP3A4 (0.60) RAB9APOLBIDO1ALOX15ADORA3
SCHEMBL20099830 0.83 KMT2A (0.57) RAB9APOLBGCGRMAPK14ALOX15
SCHEMBL20279023 0.83 RAB9A (0.49) RAB9APOLBALOX15ALDH1A1MAPT
SCHEMBL20099768 0.83 MEN1 (0.57) RAB9APOLBALOX15MAPTHPGD
SCHEMBL20099880 0.82 RAB9A (0.45) RAB9APOLBALOX15MAPTHPGD
SCHEMBL20099884 0.82 POLB (0.56) RAB9APOLBALOX15ADORA3HPGDS
SCHEMBL20099793 0.82 POLB (0.56) RAB9APOLBALOX15ADORA3HPGDS
SCHEMBL27618709 0.81 MAP4K1 (0.52) RAB9APOLBIDO1ALOX15ADORA3
SCHEMBL17943298 0.81 MEN1 (0.61) RAB9APOLBALOX15ALDH1A1MAPT

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
US-10287251-B2 Pyrazole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2019-05-14 US disclosed
US-20180170879-A1 PYRAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2018-06-21 US disclosed
US-20180170879-A1 PYRAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2018-06-21 US disclosed
EP-3315492-A1 PYRAZOLE DERIVATIVE, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2018-05-02 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 (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-10287251-B2 Pyrazole derivative or pharmaceutically acceptable salt thereof TRPM8, HCN3, HCN4 RAB9A 508/4885POLB 4822/4885GCGR 2036/4885
US-20180170879-A1 PYRAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TRPM8, HCN3, HCN4 RAB9A 387/4885POLB 4786/4885GCGR 1931/4885

“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.