SCHEMBL21886932

SCHEMBL21886932

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
KDM4C Q9H3R0 1/20 0.37
ALDH1A1 P00352 8/20 0.36
KDM4E B2RXH2 8/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
PKM P14618 2/20 0.35
HSD17B10 Q99714 1/20 0.35
RCE1 Q9Y256 1/20 0.33
MAPT P10636 1/20 0.33
S1PR4 O95977 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
ATR Q13535 1/20 0.31

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
SCHEMBL29502585 0.82 NPSR1 (0.54) NPSR1KDM4CALDH1A1KDM4ESMN1; SMN2
SCHEMBL117827 0.82 NPSR1 (0.54) NPSR1KDM4CALDH1A1KDM4ESMN1; SMN2
SCHEMBL9943790 0.81 NPC1 (0.44) NPSR1ALDH1A1KDM4ERAB9AL3MBTL1
SCHEMBL12338897 0.79 NPSR1 (0.50) NPSR1KDM4CALDH1A1KDM4ESMN1; SMN2
SCHEMBL1554821 0.79 HCAR2 (0.31)
SCHEMBL31484056 0.78 NPSR1 (0.48) NPSR1KDM4CALDH1A1KDM4ESMN1; SMN2
SCHEMBL29352298 0.78 NPSR1 (0.48) NPSR1KDM4CALDH1A1KDM4ESMN1; SMN2
SCHEMBL719555 0.78 NPSR1 (0.48) NPSR1KDM4CALDH1A1KDM4ESMN1; SMN2
SCHEMBL109063 0.78 NPSR1 (0.48) NPSR1ALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL30668014 0.78 NPSR1 (0.48) NPSR1ALDH1A1KDM4ESMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12054488-B2 Pyrazolopyrimidine compound and preparation method therefor and use thereof in preparation of anti-cancer drug SUZHOU RAYMON PHARMACEUTICALS COMPANY, LTD. (CN) 2024-08-06 US disclosed
US-20220106316-A2 PYRAZOLOPYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG SUZHOU RAYMON PHARMACEUTICALS COMPANY, LTD. (CN) 2022-04-07 US 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
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
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 (3 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-20220106316-A2 PYRAZOLOPYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG PIK3CA, PIK3CD, PIK3R5 NPSR1 4429/4885KDM4C 3453/4885ALDH1A1 1096/4885
US-20210340146-A1 PYRAZOLOPYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG PIK3CA, PIK3CD, PIK3R5 NPSR1 4429/4885KDM4C 3453/4885ALDH1A1 1096/4885
US-12054488-B2 Pyrazolopyrimidine compound and preparation method therefor and use thereof in preparation of anti-cancer drug PIK3CA, PIK3CD, PIK3R5 NPSR1 4429/4885KDM4C 3453/4885ALDH1A1 1096/4885

“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.