SCHEMBL14868480

SCHEMBL14868480

CC(C)c1ccc(C(=O)N2CCOCC2)nn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ HSP90AA1 P07900 2/20 0.47
▸ HSP90AB1 P08238 2/20 0.47
▸ RAB9A P51151 11/20 0.45
▸ NPC1 O15118 10/20 0.45
▸ HPGD P15428 1/20 0.44
▸ KDM4A O75164 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ PHGDH O43175 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ FKBP1A P62942 1/20 0.41

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
SCHEMBL14872322 0.80 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ANPC1HPGDKDM4A
SCHEMBL12141900 0.80 HSD11B1 (0.40) SMN1; SMN2RAB9ANPC1HPGDALDH1A1
SCHEMBL13466400 0.78 HTR2C (0.48) SMN1; SMN2HSP90AA1HSP90AB1RAB9ANPC1
SCHEMBL3076069 0.77 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ANPC1HPGDTP53
SCHEMBL16379733 0.77 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ANPC1HPGDKDM4A
SCHEMBL19473337 0.75 SMN1; SMN2 (0.65) SMN1; SMN2HSP90AA1HSP90AB1RAB9ANPC1
SCHEMBL10255135 0.75 SMN1; SMN2 (0.65) SMN1; SMN2HSP90AA1HSP90AB1RAB9AHPGD
SCHEMBL8819862 0.75 HSP90AA1 (0.47) SMN1; SMN2HSP90AA1HSP90AB1RAB9ANPC1
SCHEMBL12141908 0.74 ALDH1A1 (0.57) SMN1; SMN2RAB9AMAPK1ALDH1A1CYP1A2
SCHEMBL19651845 0.73 HSP90AA1 (0.48) SMN1; SMN2HSP90AA1HSP90AB1RAB9ANPC1

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-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 — — 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-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TYK2, IRAK1, IRAK4 SMN1; SMN2 2126/4885HSP90AA1 2923/4885HSP90AB1 2317/4885

“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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