SCHEMBL21481532

SCHEMBL21481532

NCc1ccccc1-c1cc2cccc(N)c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.40
PNMT P11086 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
BRD4 O60885 2/20 0.33
DHODH Q02127 1/20 0.33
CLTC Q00610 1/20 0.32
FFAR1 O14842 1/20 0.32
PIM1 P11309 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL28283441 0.78 LOXL2 (0.53) DPP4LOXL2FFAR1ALDH1A1HPGD
SCHEMBL30182876 0.74 DHODH (0.55) DHODHALDH1A1HPGDKDM4EMEN1
SCHEMBL20496374 0.74 DHODH (0.55) DHODHALDH1A1HPGDKDM4EMEN1
SCHEMBL27773170 0.69 DPP4 (0.54) DPP4PNMTNOS3NOS1NOS2
SCHEMBL3790601 0.68 ALDH1A1 (0.62) DPP4PNMTNOS3NOS1NOS2
SCHEMBL1654110 0.68 KDM4E (0.52) ALDH1A1HPGDKDM4EMAPTRAB9A
SCHEMBL27454834 0.67 ALDH1A1 (0.59) DPP4PNMTNOS3NOS1NOS2
SCHEMBL6924193 0.66 KDM4E (0.57) LOXL2BRD4ALDH1A1HPGDKDM4E
SCHEMBL21483765 0.66 DAO (0.41) DPP4HPGDKDM4EMAPT
SCHEMBL12777912 0.65 HRH4 (0.42) HRH4ALDH1A1HPGDKDM4EMEN1

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-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors QURIENT CO., LTD. (KR) 2024-01-02 US disclosed
US-20210139483-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2021-05-13 US disclosed
WO-2019197546-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES QURIENT CO., LTD. (KR) 2019-10-17 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-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors CDKL5, CDK15, CDK5 DPP4 725/4885PNMT 3311/4885NOS3 1988/4885
US-20210139483-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES IL5, THPO, TYMP DPP4 85/4885PNMT 3095/4885NOS3 1823/4885

“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.