SCHEMBL21886940

SCHEMBL21886940

COC(=O)c1nc(Cl)nc(N2CCOCC2)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPK1 P28482 1/20 0.44
MAPT P10636 4/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HPGD P15428 2/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PKM P14618 1/20 0.38
HDAC1 Q13547 1/20 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
SCHEMBL21834760 0.82 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP2D6
SCHEMBL22552021 0.75 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP2D6
SCHEMBL22717706 0.74 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP2D6
SCHEMBL2337541 0.74 SMN1; SMN2 (0.44) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP2D6
SCHEMBL12462778 0.73 MTOR (0.56) ALDH1A1KDM4ESMN1; SMN2RXFP1L3MBTL1
SCHEMBL13828586 0.72 SMN1; SMN2 (0.42) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL21886932 0.72 NPSR1 (0.48) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL23804783 0.72 SMN1; SMN2 (0.51) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP2D6
SCHEMBL2534706 0.72 SMN1; SMN2 (0.46) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP2D6
SCHEMBL26079031 0.71 PIK3CA (0.60) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110950868-B Pyrazolopyrimidine compound, preparation method thereof and application of pyrazolopyrimidine compound in preparation of anti-cancer drugs 苏州锐明新药研发有限公司 2022-05-13 CN disclosed
US-20210340146-A1 PYRAZOLOPYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG SUZHOU RAYMON PHARMACEUTICALS COMPANY LTD (CN) 2021-11-04 US disclosed
CN-110950868-A Pyrazolopyrimidine compound, preparation method thereof and application thereof in preparing anti-cancer drugs 苏州锐明新药研发有限公司 2020-04-03 CN disclosed
WO-2020063636-A1 PYRAZOLOPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG 苏州锐明新药研发有限公司 2020-04-02 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 (1 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-20210340146-A1 PYRAZOLOPYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG PIK3CA, PIK3CD, PIK3R5 ALDH1A1 1096/4885KDM4E 2769/4885SMN1; SMN2 4491/4885

“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.