SCHEMBL20649281

SCHEMBL20649281

CC1(C)Cc2cnc(N)nc2-c2[nH]nc(C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)c21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.49
ATR Q13535 3/20 0.43
LRRK2 Q5S007 1/20 0.42
HPGD P15428 3/20 0.42
KMT2A Q03164 1/20 0.40
CDK2 P24941 2/20 0.40
AURKA O14965 1/20 0.40
CCNA2 P20248 1/20 0.39
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MTOR P42345 2/20 0.38

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
SCHEMBL30183517 1.00 FLT3 (0.49) FLT3ATRLRRK2HPGDKMT2A
SCHEMBL20649120 0.93 EPHX2 (0.44) FLT3ATRLRRK2HPGDCDK2
SCHEMBL30183354 0.93 EPHX2 (0.44) FLT3ATRLRRK2HPGDCDK2
SCHEMBL20649059 0.92 FLT3 (0.48) FLT3ATRHPGDCDK2CCNA2
SCHEMBL30183993 0.92 FLT3 (0.51) FLT3ATRHPGDCDK2AURKA
SCHEMBL20649379 0.92 FLT3 (0.51) FLT3ATRHPGDCDK2AURKA
SCHEMBL30183995 0.92 FLT3 (0.48) FLT3ATRHPGDCDK2CCNA2
SCHEMBL30183663 0.91 FLT3 (0.42) FLT3ATRHPGDCDK2CCNA2
SCHEMBL20649119 0.91 FLT3 (0.42) FLT3ATRHPGDCDK2CCNA2
SCHEMBL20648960 0.90 FLT3 (0.41) FLT3ATRHPGDCDK2CCNA2

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 7 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 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 FLT3 654/4885ATR 599/4885LRRK2 315/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK FLT3 747/4885ATR 621/4885LRRK2 248/4885

“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.