SCHEMBL20649238

SCHEMBL20649238

Cc1csc(NC(=O)c2c3c(nn2CCO)-c2nc(N)ncc2CC3(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCK P35557 6/20 0.37
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RET P07949 1/20 0.35
GRM5 P41594 2/20 0.35

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
SCHEMBL30183685 1.00 GCK (0.37) GCKNPC1RAB9AGAAKDM4E
SCHEMBL20649259 0.89 NPC1 (0.39) GCKNPC1RAB9AGAAKDM4E
SCHEMBL21875664 0.88 CDK2 (0.40) GCKNPC1RAB9AGAAKDM4E
SCHEMBL30183187 0.88 CDK2 (0.40) GCKNPC1RAB9AGAAKDM4E
SCHEMBL20649016 0.83 SMN1; SMN2 (0.37) GCKNPC1RAB9ASMN1; SMN2RET
SCHEMBL30183889 0.83 SMN1; SMN2 (0.37) GCKNPC1RAB9ASMN1; SMN2RET
SCHEMBL30183920 0.81 CDK2 (0.40) GCKNPC1RAB9AGAAKDM4E
SCHEMBL20649307 0.81 CDK2 (0.40) GCKNPC1RAB9AGAAKDM4E
SCHEMBL21875654 0.81 CDK2 (0.38) RET
SCHEMBL30183630 0.81 CDK2 (0.38) RET

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 3 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
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 GCK 67/4885NPC1 489/4885RAB9A 1097/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK GCK 56/4885NPC1 371/4885RAB9A 998/4885

“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.