SCHEMBL20649043

SCHEMBL20649043

CC1(C)Cc2cnc(N)nc2-c2[nH]nc(C(=O)Nc3ccc(C(=O)NC4CCCCC4)cc3)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ATR Q13535 5/20 0.40
KDR P35968 1/20 0.39
TTK P33981 1/20 0.39
EIF2AK3 Q9NZJ5 1/20 0.39
NAMPT P43490 3/20 0.38
EPHX2 P34913 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
PLK1 P53350 1/20 0.37
HTR2B P41595 1/20 0.37
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL30183431 1.00 KIT (0.41) KITMEN1KMT2AKDM4ERXFP1
SCHEMBL20649010 0.99 ATR (0.40) KITMEN1KMT2AKDM4ERXFP1
SCHEMBL30183571 0.99 ATR (0.40) KITMEN1KMT2AKDM4ERXFP1
SCHEMBL20649357 0.98 ATR (0.40) KITMEN1KMT2AKDM4ERXFP1
SCHEMBL30183165 0.98 ATR (0.40) KITMEN1KMT2AKDM4ERXFP1
SCHEMBL20649055 0.96 ATR (0.43) KITMEN1KMT2AKDM4ERXFP1
SCHEMBL30183118 0.96 ATR (0.43) KITMEN1KMT2AKDM4ERXFP1
SCHEMBL20649198 0.93 ATR (0.44) ATRKDRTTKEIF2AK3SMN1; SMN2
SCHEMBL30183142 0.93 ATR (0.44) ATRKDRTTKEIF2AK3SMN1; SMN2
SCHEMBL20649112 0.92 ATR (0.47) ATRTTKEIF2AK3NAMPTCDK2

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 KIT 1297/4885MEN1 2593/4885KMT2A 1180/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK KIT 1017/4885MEN1 2905/4885KMT2A 1062/4885

“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.