SCHEMBL20649174

SCHEMBL20649174

CCOC(=O)Cc1csc(NC(=O)c2n[nH]c3c2C(C)(C)Cc2cnc(N)nc2-3)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK1 P28482 3/20 0.45
HTT P42858 3/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
NPC1 O15118 3/20 0.44

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
SCHEMBL20649369 0.90 CSNK2A1 (0.40) MAPTALDH1A1GAA
SCHEMBL30183160 0.90 CSNK2A1 (0.48) NPSR1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL20649390 0.90 CSNK2A1 (0.48) NPSR1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL30183295 0.90 CSNK2A1 (0.40) MAPTALDH1A1GAA
SCHEMBL20649045 0.90 CSNK2A1 (0.37) NPSR1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL30183509 0.88 RAB9A (0.44) NPSR1MAPTCYP1A2CYP2C19MAPK1
SCHEMBL20648952 0.88 RAB9A (0.44) NPSR1MAPTCYP1A2CYP2C19MAPK1
SCHEMBL20649329 0.87 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL20649007 0.86 CSNK2A1 (0.36)
SCHEMBL20649081 0.85 F2 (0.43) NPSR1MAPTCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110997678-B Pyrazoloquinazoline derivatives as choline kinase inhibitors 内尔维亚诺医疗科学公司 2023-02-21 CN claimed
CN-110997678-A Pyrazoloquinazoline derivatives as choline kinase inhibitors 内尔维亚诺医疗科学公司 2020-04-10 CN claimed
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
US-20200131188-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2020-04-30 US disclosed
CN-110997678-A Pyrazoloquinazoline derivatives as choline kinase inhibitors 内尔维亚诺医疗科学公司 2020-04-10 CN 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 NPSR1 4537/4885MAPT 607/4885CYP1A2 2678/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK NPSR1 4581/4885MAPT 625/4885CYP1A2 2138/4885

“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.