SCHEMBL25947639

SCHEMBL25947639

Cc1cc(O)ccc1Oc1nc(Cl)ncc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SRC P12931 1/20 0.35
▸ PIN1 Q13526 2/20 0.35
▸ CHRM1 P11229 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
Phosphine SCHEMBL25950919 0.81 KDM4E (0.35) ALDH1A1MEN1MAPTKMT2AMAPK1
SCHEMBL30183986 0.80 KDM4E (0.37) ALDH1A1MEN1MAPTKMT2AMAPK1
SCHEMBL29172306 0.80 KDM4E (0.37) ALDH1A1MEN1MAPTKMT2AMAPK1
SCHEMBL25947633 0.78 PIN1 (0.46) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL25947637 0.77 PIN1 (0.44) MEN1KMT2ACYP3A4L3MBTL1SMN1; SMN2
SCHEMBL5032967 0.73 CYP3A4 (0.44) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL2046584 0.70 CYP3A4 (0.37) MEN1MAPTKMT2ACYP3A4CYP1A2
SCHEMBL5319903 0.69 RAF1 (0.42) ALDH1A1MEN1MAPTKMT2ACYP3A4
SCHEMBL9945498 0.69 PIN1 (0.49) ALDH1A1MEN1MAPTKMT2ACYP1A2
SCHEMBL30635855 0.68 PIN1 (0.64) ALDH1A1MEN1MAPTKMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALITY S.A. (CH) 2023-07-20 — — 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 (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-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS MAP4K1, MAP3K4, MAP4K2 ALDH1A1 2196/4885MEN1 2549/4885MAPT 119/4885

“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.

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