SCHEMBL23934774

SCHEMBL23934774

C/N=C/c1cc(C)c2cc(OC)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
TUBB1 Q9H4B7 1/20 0.39
NQO2 P16083 4/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP1B1 Q16678 1/20 0.38
LRRK2 Q5S007 1/20 0.38
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CHRM5 P08912 1/20 0.37
HTR2C P28335 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL20691469 0.80 CYP1A2 (0.50) TUBB1NQO2KDM4EALDH1A1CYP1A2
SCHEMBL4672666 0.80 CYP1A2 (0.50) TUBB1NQO2KDM4EALDH1A1CYP1A2
SCHEMBL4672669 0.80 CYP1A2 (0.50) TUBB1NQO2KDM4EALDH1A1CYP1A2
SCHEMBL15317149 0.74 CYP1A2 (0.50) POLBKDM4EALDH1A1HSD17B10HPGD
SCHEMBL15986625 0.69 CYP1B1 (0.52) TUBB1NQO2KDM4EALDH1A1CYP1A2
SCHEMBL11207836 0.69 GRIN2D (0.55) POLBTUBB1NQO2KDM4EALDH1A1
SCHEMBL10374800 0.69 GRIN2D (0.55) POLBTUBB1NQO2KDM4EALDH1A1
SCHEMBL7107239 0.67 CHRM5 (0.75) POLBTUBB1NQO2KDM4ECYP1A2
SCHEMBL7107242 0.67 CHRM5 (0.75) POLBTUBB1NQO2KDM4ECYP1A2
SCHEMBL4203130 0.67 CYP1A2 (0.59) ALDH1A1HSD17B10HPGDCYP1A2CYP2A6

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-20210323969-A1 FUSED TRIAZOLO-PYRIMIDINE COMPOUNDS HAVING USEFUL PHARMACEUTICAL APPLICATION PIKSCI INC. (CA) 2021-10-21 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-20210323969-A1 FUSED TRIAZOLO-PYRIMIDINE COMPOUNDS HAVING USEFUL PHARMACEUTICAL APPLICATION PIKFYVE, PIP4K2B, PIP4K2A POLB 1075/4885TUBB1 1620/4885NQO2 3736/4885

“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.