SCHEMBL17547806

SCHEMBL17547806

CCOc1ccc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 4/20 0.38
▸ GRM2 Q14416 2/20 0.36
▸ ERN1 O75460 1/20 0.35
▸ XDH P47989 1/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ MAPK12 P53778 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ S1PR2 O95136 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ RET P07949 1/20 0.35
▸ MAPT P10636 1/20 0.34

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
SCHEMBL16092358 0.90 GRM2 (0.43) KDM5AGRM2MAPT
SCHEMBL16092357 0.86 KDM5A (0.40) KDM5A
SCHEMBL16092424 0.86 KDM5A (0.42) KDM5AGRM2XDH
SCHEMBL16091921 0.84 KDM5A (0.40) KDM5ARET
SCHEMBL17547844 0.83 KDM5A (0.41) KDM5ARETMAPT
SCHEMBL16092379 0.83 TLR7 (0.42) GRM2
SCHEMBL16092523 0.81 KDM5A (0.49) KDM5A
SCHEMBL17547807 0.81 KDM5A (0.38) KDM5A
SCHEMBL16092418 0.81 AR (0.41) KDM5A
SCHEMBL16092427 0.81 PIK3CA (0.36) KDM5A

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-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 — — US disclosed
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 — — US disclosed
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 — — US disclosed
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 — — US 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-10035801-B2 Pyrazolo compounds and uses thereof KDM5A, KDM5C, KDM5B KDM5A 1/4885GRM2 1530/4885ERN1 2522/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B KDM5A 1/4885GRM2 1530/4885ERN1 2522/4885

“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.

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