SCHEMBL20649016

SCHEMBL20649016

Cc1csc(NC(=O)c2c3c(nn2CCOC2CCCCO2)-c2nc(N)ncc2CC3(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
GRM5 P41594 9/20 0.37
RET P07949 1/20 0.34
GCK P35557 2/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
ALOX15 P16050 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL30183889 1.00 SMN1; SMN2 (0.37) SMN1; SMN2RAB9ANPC1GRM5RET
SCHEMBL21875735 0.85 MEN1 (0.36) RAB9ANPC1MEN1KMT2A
SCHEMBL30183573 0.85 MEN1 (0.36) RAB9ANPC1MEN1KMT2A
SCHEMBL21875741 0.84 CDK4 (0.37) RAB9ANPC1MEN1KMT2A
SCHEMBL20649238 0.83 GCK (0.37) SMN1; SMN2RAB9ANPC1GRM5RET
SCHEMBL30183685 0.83 GCK (0.37) SMN1; SMN2RAB9ANPC1GRM5RET
SCHEMBL20649223 0.83 TTK (0.31)
SCHEMBL20649259 0.79 NPC1 (0.39) SMN1; SMN2RAB9ANPC1GRM5RET
SCHEMBL21875639 0.76 CDK2 (0.46) MEN1KMT2A
SCHEMBL21875744 0.76 CDK2 (0.38) ALDH1A1MEN1KMT2A

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 5 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-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
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 SMN1; SMN2 2117/4885RAB9A 1097/4885NPC1 489/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK SMN1; SMN2 1667/4885RAB9A 998/4885NPC1 371/4885

“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.