SCHEMBL20649062

SCHEMBL20649062

CC1(C)Cc2cnc(N)nc2-c2[nH]nc(C(=O)Nc3cccc(C(=O)NC4CCCCC4)c3)c21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.44
ATR Q13535 3/20 0.42
CYP3A4 P08684 1/20 0.40
CYP3A5 P20815 1/20 0.40
KIT P10721 1/20 0.40
SMYD3 Q9H7B4 2/20 0.39
HTR2B P41595 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
TTK P33981 1/20 0.39
EIF2AK3 Q9NZJ5 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.38
PDGFRB P09619 1/20 0.38
ANO1 Q5XXA6 2/20 0.37

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
SCHEMBL30183145 1.00 KDR (0.44) KDRATRCYP3A4CYP3A5KIT
SCHEMBL30183284 0.92 ATR (0.52) KDRATRSMYD3TTKEIF2AK3
SCHEMBL20649178 0.92 ATR (0.52) KDRATRSMYD3TTKEIF2AK3
SCHEMBL20649043 0.91 KIT (0.41) KDRATRKITHTR2BTTK
SCHEMBL30183431 0.91 KIT (0.41) KDRATRKITHTR2BTTK
SCHEMBL20649010 0.91 ATR (0.40) KDRATRKITHTR2BTTK
SCHEMBL30183571 0.91 ATR (0.40) KDRATRKITHTR2BTTK
SCHEMBL20649357 0.89 ATR (0.40) KDRATRKITTTKEIF2AK3
SCHEMBL30183165 0.89 ATR (0.40) KDRATRKITTTKEIF2AK3
SCHEMBL20649303 0.89 CA12 (0.44) KDRATRPDGFRB

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 11 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
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2021-09-14 US claimed
US-20200131188-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2020-04-30 US 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
CN-110997678-B Pyrazoloquinazoline derivatives as choline kinase inhibitors 内尔维亚诺医疗科学公司 2023-02-21 CN 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-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
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 KDR 3211/4885ATR 599/4885CYP3A4 2316/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK KDR 3145/4885ATR 621/4885CYP3A4 2045/4885

“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.