SCHEMBL19199535

SCHEMBL19199535

CNc1cc(Br)c(C)cc1C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BCHE P06276 1/20 0.31
CES1 P23141 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
ESR1 P03372 1/20 0.30

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
SCHEMBL18619502 0.85 ESR1 (0.30) ESR1
SCHEMBL27057783 0.79 CYP3A4 (0.42) POLBL3MBTL1CYP3A4TSHRMAPK1
SCHEMBL22479377 0.79 KDM1A (0.39) MAPT
SCHEMBL30711502 0.79 CYP3A4 (0.42) POLBL3MBTL1CYP3A4TSHRMAPK1
SCHEMBL19198529 0.78 CYP3A4 (0.36) BCHECES1CYP3A4TSHRMAPK1
SCHEMBL20160730 0.78 ESR1 (0.35) POLBL3MBTL1ALDH1A1MAPTESR1
SCHEMBL10072636 0.75 CYP3A4 (0.55) POLBCYP3A4TSHRMAPK1ALDH1A1
SCHEMBL24144588 0.75 KDM1A (0.43) MAPT
SCHEMBL16852796 0.75 CYP3A4 (0.37) POLBL3MBTL1CYP3A4TSHRMAPK1
SCHEMBL482796 0.74 TSHR (0.42) POLBL3MBTL1BCHECES1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217970-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 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 (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-20170217970-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND OR SALT THEREOF ERBB2, JAK2, ERBB4 POLB 2942/4885L3MBTL1 2840/4885BCHE 4387/4885

“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.