SCHEMBL11919084

SCHEMBL11919084

CCn1nnnc1CN1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.53
▸ MAPT P10636 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ TSHR P16473 2/20 0.42
▸ PKM P14618 1/20 0.41
▸ IDE P14735 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GAA P10253 1/20 0.39

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
SCHEMBL15219424 0.81 ALDH1A1 (0.56) ALDH1A1MAPTTP53MEN1KMT2A
Hydrochloric Acid SCHEMBL30486926 0.78 IDE (0.63) ALDH1A1MAPTTP53MEN1KMT2A
SCHEMBL31010281 0.76 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL11915953 0.74 ALDH1A1 (0.73) ALDH1A1MAPTTP53MEN1KMT2A
SCHEMBL25013971 0.69 — —
SCHEMBL14727991 0.69 — —
SCHEMBL4408138 0.69 ALDH1A1 (0.45) ALDH1A1TP53MEN1KMT2APOLB
SCHEMBL13327698 0.69 — —
Hydrochloric Acid SCHEMBL29518279 0.68 ALDH1A1 (0.97) ALDH1A1MAPTTP53MEN1KMT2A
SCHEMBL4405716 0.66 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 — — US disclosed
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-11-24 — — 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-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 ALDH1A1 4596/4885MAPT 3911/4885TP53 1393/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 ALDH1A1 3173/4885MAPT 2203/4885TP53 685/4885

“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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