SCHEMBL20640324

SCHEMBL20640324

COc1ccc(CNC(=O)Oc2nc(CCl)cs2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 4/20 0.45
TSHR P16473 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ABCB1 P08183 1/20 0.44
MAPT P10636 3/20 0.43
APLNR P35414 1/20 0.43
THRB P10828 1/20 0.43
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL28888478 0.78 KMT2A (0.39) POLBALDH1A1TSHRABCB1MAPT
SCHEMBL354761 0.77 APLNR (0.50) ALDH1A1TSHRMAPTAPLNRHTT
SCHEMBL2223385 0.72 ALDH1A1 (0.59) POLBALDH1A1TSHRNPSR1APLNR
SCHEMBL20640323 0.72 POLB (0.47) POLBALDH1A1TSHRMAPTMEN1
SCHEMBL18415441 0.71 TAS1R3 (0.67) POLBALDH1A1TSHRNPSR1MAPT
SCHEMBL23985887 0.70 ALDH1A1 (0.60) MAOBALDH1A1TSHRNPSR1ABCB1
SCHEMBL30451028 0.70 ALDH1A1 (0.60) MAOBALDH1A1TSHRNPSR1ABCB1
SCHEMBL2261220 0.70 APLNR (0.65) POLBALDH1A1TSHRNPSR1MAPT
SCHEMBL10141758 0.70 APLNR (0.65) POLBALDH1A1TSHRNPSR1APLNR
SCHEMBL192397 0.70 APLNR (0.56) POLBALDH1A1TSHRNPSR1ABCB1

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-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2021-09-14 US disclosed
EP-3652177-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2020-05-20 EP disclosed
US-20200131188-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2020-04-30 US disclosed
WO-2019011715-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-01-17 WO 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-20200131188-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS CHKA, CHKB, NADK MAOB 812/4885POLB 1607/4885ALDH1A1 2929/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK MAOB 557/4885POLB 1284/4885ALDH1A1 2234/4885

“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.