SCHEMBL20640323

SCHEMBL20640323

COc1ccc(CN(C(=O)O)c2nc(CCl)cs2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 4/20 0.43
TSHR P16473 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
TDP1 Q9NUW8 3/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
KDM4C Q9H3R0 1/20 0.41
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
APEX1 P27695 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL20640351 0.89 POLB (0.47) POLBMEN1KMT2AL3MBTL1KDM4E
SCHEMBL20649410 0.87 MEN1 (0.43) POLBMEN1KMT2AL3MBTL1KDM4E
SCHEMBL30183556 0.87 MEN1 (0.43) POLBMEN1KMT2AL3MBTL1KDM4E
SCHEMBL20649413 0.77 MEN1 (0.43) POLBMEN1KMT2AL3MBTL1KDM4E
SCHEMBL30183579 0.77 MEN1 (0.43) POLBMEN1KMT2AL3MBTL1KDM4E
SCHEMBL16594999 0.75 POLB (0.48) POLBMEN1KMT2AL3MBTL1KDM4E
SCHEMBL28888478 0.75 KMT2A (0.39) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL23144578 0.73 MEN1 (0.47) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL20640324 0.72 MAOB (0.46) POLBMEN1KMT2AALDH1A1TSHR
SCHEMBL354761 0.71 APLNR (0.50) MEN1KMT2AKDM4EALDH1A1TSHR

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 POLB 1607/4885MEN1 2593/4885KMT2A 1180/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK POLB 1284/4885MEN1 2905/4885KMT2A 1062/4885

“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.