SCHEMBL16302786

SCHEMBL16302786

CC(C)(C)n1nnnc1CN1CCNCC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.69
▸ LMNA P02545 5/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ POLB P06746 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ CNR2 P34972 1/20 0.34

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
SCHEMBL11915953 0.83 ALDH1A1 (0.73) ALDH1A1LMNANPSR1POLBHTT
SCHEMBL9932677 0.78 ALDH1A1 (0.44) ALDH1A1LMNAMEN1KMT2ATP53
SCHEMBL9963099 0.74 ALDH1A1 (0.68) ALDH1A1LMNANPSR1HTTMEN1
SCHEMBL22095315 0.74 ALDH1A1 (0.63) ALDH1A1LMNANPSR1POLBHTT
SCHEMBL27326048 0.72 ALDH1A1 (0.38) ALDH1A1LMNANPSR1POLBHTT
SCHEMBL15221306 0.71 ALDH1A1 (0.38) ALDH1A1LMNANPSR1MEN1KMT2A
SCHEMBL11915931 0.71 SIGMAR1 (0.39) ALDH1A1LMNAMEN1KMT2ASIGMAR1
SCHEMBL22113452 0.70 ALDH1A1 (0.81) ALDH1A1LMNANPSR1HTTMEN1
SCHEMBL4416287 0.69 ALDH1A1 (0.58) ALDH1A1LMNANPSR1POLBHTT
SCHEMBL22069560 0.67 ALDH1A1 (0.51) ALDH1A1LMNANPSR1SMN1; SMN2MAPK1

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-8912330-B2 Azaindole derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-12-16 — — US disclosed
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-12-01 — — 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-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ABL1, CDKN1A, MAP3K13 ALDH1A1 2111/4885LMNA 4433/4885NPSR1 1988/4885

“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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