SCHEMBL15475138

SCHEMBL15475138

[c]1ccccc1-c1cnnn1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.52
CDC7 O00311 1/20 0.47
HSD11B1 P28845 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
GRM2 Q14416 2/20 0.37
SLC9A1 P19634 1/20 0.37
RECQL P46063 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CNR2 P34972 1/20 0.36
CYP19A1 P11511 1/20 0.36
IDO1 P14902 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL2895467 0.77 CDC7 (0.61) P2RX7CDC7HSD11B1HDAC3HDAC1
SCHEMBL27943828 0.73 ALDH1A1 (0.57) P2RX7CDC7HSD11B1RECQLKDM4E
SCHEMBL9434857 0.73 ALDH1A1 (0.57) P2RX7HDAC6GRM2SLC9A1ALDH1A1
SCHEMBL8487798 0.72 FLT3 (0.33) ALDH1A1TSHR
SCHEMBL27953930 0.72 P2RX7 (0.81) P2RX7CDC7HSD11B1HDAC3HDAC1
SCHEMBL25010024 0.71 CDC7 (0.58) P2RX7CDC7HSD11B1HDAC3HDAC1
SCHEMBL28809840 0.71 CDC7 (0.58) P2RX7CDC7HSD11B1HDAC3HDAC1
SCHEMBL15474775 0.71 PTGS2 (0.46) KDM4EALDH1A1TSHR
SCHEMBL20497362 0.70 CDC7 (0.56) P2RX7CDC7HSD11B1HDAC3HDAC1
SCHEMBL27943874 0.70 KMT2A (0.57) P2RX7CDC7HSD11B1HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021006267-A1 SALT OF PYRAZOLE DERIVATIVE AND PREPARATION OF PYRAZOLE DERIVATIVE グリーン・テック株式会社 2021-01-14 WO disclosed
WO-2020235582-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR MOTOR NEURON DISEASE グリーン・テック株式会社 (JP) 2020-11-26 WO disclosed
EP-3323816-A1 NOVEL PYRAZOLE DERIVATIVE Green Tech Co., Ltd. (JP) 2018-05-23 EP disclosed
US-9399635-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-07-26 US disclosed
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PHARMA EIGHT CO., LTD. (JP) 2014-03-27 US disclosed
EP-2698368-A1 NOVEL PYRAZOLE DERIVATIVE Pharma Eight Co. Ltd (JP) 2014-02-19 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 (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-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PSEN2, MAPT, PSEN1 P2RX7 2874/4885CDC7 3699/4885HSD11B1 332/4885

“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.