SCHEMBL21849239

SCHEMBL21849239

CCc1cnc2cc(F)ccn12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
FLT3 P36888 9/20 0.37
CSF1R P07333 1/20 0.37
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
GRM2 Q14416 1/20 0.33
PIK3CA P42336 1/20 0.33
KDR P35968 1/20 0.33
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL24349171 0.83 PRMT5 (0.45) CYP11B1CYP11B2PRMT5WDR77FLT3
SCHEMBL12832003 0.81 KDM4E (0.50) CYP11B1CYP11B2PRMT5WDR77FLT3
SCHEMBL25252455 0.80 HTR2C (0.37) CYP11B1CYP11B2PRMT5WDR77FLT3
SCHEMBL1426385 0.79 GAA (0.34) FLT3KDM4EALDH1A1GAAGLA
SCHEMBL14748149 0.79 KDR (0.43) PRMT5WDR77FLT3CSF1RKDM4E
SCHEMBL23133610 0.79 GRM2 (0.34) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL25247711 0.77 CYP11B1 (0.34) CYP11B1CYP11B2PRMT5WDR77FLT3
SCHEMBL12758862 0.77 GRM2 (0.34) FLT3KDM4EALDH1A1GAAGLA
SCHEMBL23425731 0.77 KDM4E (0.35) CSF1RKDM4EALDH1A1GAAGLA
SCHEMBL23114698 0.77 FLT3 (0.42) PRMT5WDR77FLT3CSF1RKDM4E

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-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-11078201-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-08-03 US disclosed
US-20210087190-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-25 US disclosed
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US 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 (5 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-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 CYP11B1 1768/4885CYP11B2 1848/4885PRMT5 1523/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP11B1 1560/4885CYP11B2 1907/4885PRMT5 3303/4885
US-20210087190-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, IP6K1 CYP11B1 1506/4885CYP11B2 1366/4885PRMT5 2469/4885
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 CYP11B1 1768/4885CYP11B2 1848/4885PRMT5 1523/4885
US-11078201-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, PDXK, IP6K1 CYP11B1 1549/4885CYP11B2 1419/4885PRMT5 2304/4885

“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.