SCHEMBL26112141

SCHEMBL26112141

O=C(O)n1cc2ccncc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4C Q9H3R0 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM6B O15054 1/20 0.37
KDM4A O75164 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HASPIN Q8TF76 2/20 0.36
CYP3A4 P08684 1/20 0.36
NAPRT Q6XQN6 1/20 0.35
APP P05067 1/20 0.35
GAA P10253 1/20 0.35
HCAR3 P49019 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL3706072 0.82 CDK8 (0.41) IMPDH2KDM4EALDH1A1KDM4CMEN1
SCHEMBL27847925 0.81 CDK8 (0.40) IMPDH2KDM4EALDH1A1KDM4CMEN1
SCHEMBL29930920 0.74 GPR119 (0.40)
SCHEMBL2075524 0.73 ALDH1A1 (0.38) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL7632528 0.71 NPSR1 (0.43) ALDH1A1NPSR1
SCHEMBL256355 0.70 HASPIN (0.43) KDM4EMAPTHASPINCYP3A4GSK3B
Isoquinoline SCHEMBL11346369 0.68 IMPDH2 (0.53) IMPDH2KDM4EALDH1A1MEN1KMT2A
Isoquinoline SCHEMBL4353462 0.67 IMPDH2 (0.51) IMPDH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL24668531 0.67 HASPIN (0.35) HASPINROCK1PRKD3MAP4K4PIM1
SCHEMBL152013 0.67 CYP19A1 (0.45) IMPDH2KDM4EALDH1A1MAPTCYP3A4

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
WO-2025109475-A1 SHP-1 AGONISTS DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-05-30 WO disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
WO-2023196409-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-12 WO disclosed
EP-4003340-A2 ETHYNYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS Angion Biomedica Corp. (US) 2022-06-01 EP disclosed
US-20220041597-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X FORMA THERAPEUTICS, INC. 2022-02-10 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 (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-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 IMPDH2 2636/4885KDM4E 3143/4885ALDH1A1 4740/4885
US-20220041597-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X MCL1, HSPA9, USP10 IMPDH2 4306/4885KDM4E 390/4885ALDH1A1 3803/4885

“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.