SCHEMBL25947633

SCHEMBL25947633

Cc1ccccc1Oc1nc(Cl)ncc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 7/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ AR P10275 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ MAP4K4 O95819 1/20 0.40
▸ MRGPRX1 Q96LB2 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL19654490 0.84 PIN1 (0.44) PIN1ALDH1A1MEN1KMT2ANPC1
SCHEMBL3334570 0.82 PIN1 (0.64) PIN1ALDH1A1MEN1KMT2AHTT
SCHEMBL30378947 0.82 LCK (0.46) PIN1ALDH1A1MEN1KMT2ANPC1
SCHEMBL30635855 0.82 PIN1 (0.64) PIN1ALDH1A1MEN1KMT2AHTT
SCHEMBL26087125 0.82 LCK (0.46) PIN1ALDH1A1MEN1KMT2ANPC1
Phosphine SCHEMBL25950886 0.80 PIN1 (0.46) PIN1ALDH1A1SMN1; SMN2HTTHPGD
SCHEMBL25947639 0.78 ALDH1A1 (0.38) PIN1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL22895754 0.77 PIN1 (0.64) PIN1ALDH1A1MEN1KMT2ANPC1
SCHEMBL29596360 0.77 PIN1 (0.64) PIN1ALDH1A1MEN1KMT2ANPC1
SCHEMBL30875696 0.77 PIN1 (0.44) PIN1ALDH1A1HTT

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 PIN1 2482/4885ALDH1A1 2196/4885MEN1 2549/4885

“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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