SCHEMBL31610159

SCHEMBL31610159

[2H]C([2H])([2H])Oc1c(C#N)ccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 2/20 0.45
▸ IMPDH1 P20839 1/20 0.45
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ SLC22A12 Q96S37 2/20 0.38
▸ MAPT P10636 2/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL24476762 0.88 IMPDH2 (0.53) IMPDH2IMPDH1CA1CA2ALDH1A1
SCHEMBL2422193 0.80 CA1 (0.48) IMPDH2IMPDH1CA1CA2ALDH1A1
SCHEMBL28150038 0.77 GAA (0.46) IMPDH2IMPDH1CA1CA2ALDH1A1
SCHEMBL31610446 0.74 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTTSHRCYP2A6
SCHEMBL6913366 0.73 CYP2D6 (0.48) IMPDH2IMPDH1CA1CA2SLC22A12
SCHEMBL6915365 0.72 CA1 (0.38) IMPDH2IMPDH1CA1CA2ALDH1A1
SCHEMBL6917391 0.71 MAOB (0.46) IMPDH2IMPDH1ALDH1A1KDM4EMAPT
SCHEMBL6915950 0.71 MAOB (0.53) IMPDH2CA1CA2MAPTCYP2D6
SCHEMBL6915140 0.71 SLC2A1 (0.45) ALDH1A1KDM4ECYP2D6L3MBTL1GAA
SCHEMBL5950664 0.71 TSHR (0.54) IMPDH2IMPDH1CA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250346610-A1 SUBSTITUTED PYRIDO[4,3-d]PYRIMIDINES AS KRAS MODULATORS ALTEROME THERAPEUTICS INC (US) 2025-11-13 — — US disclosed
US-12466842-B2 Substituted pyrido [4,3-d]pyrimidines as KRAS modulators ALTEROME THERAPEUTICS, INC. (US) 2025-11-11 — — US disclosed
US-20250179093-A1 KRAS MODULATORS ALTEROME THERAPEUTICS, INC. 2025-06-05 — — 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 (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-20250179093-A1 KRAS MODULATORS KRAS, NRAS, HRAS IMPDH2 3938/4885IMPDH1 3723/4885CA1 4743/4885
US-20250346610-A1 SUBSTITUTED PYRIDO[4,3-d]PYRIMIDINES AS KRAS MODULATORS KRAS, NRAS, HRAS IMPDH2 1926/4885IMPDH1 1555/4885CA1 4864/4885
US-12466842-B2 Substituted pyrido [4,3-d]pyrimidines as KRAS modulators KRAS, NRAS, HRAS IMPDH2 1926/4885IMPDH1 1555/4885CA1 4864/4885

“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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