SCHEMBL16132011

SCHEMBL16132011

COCCNC(=O)c1cncc(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.58
▸ ALDH1A1 P00352 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MAPT P10636 1/20 0.51
▸ HPGD P15428 3/20 0.50
▸ CYP1A2 P05177 3/20 0.50
▸ CYP3A4 P08684 3/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ HCAR2 Q8TDS4 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ SMYD3 Q9H7B4 2/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ POLB P06746 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ MEN1 O00255 2/20 0.48

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
SCHEMBL13182960 0.91 ALDH1A1 (0.59) ATMALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL13116579 0.90 HPGD (0.55) ATMALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL13852610 0.84 HCAR2 (0.53) ATMALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL13852632 0.84 HCAR2 (0.53) ATMALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL31313370 0.83 NPC1 (0.67) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL26426186 0.83 NPC1 (0.67) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL13280180 0.83 HPGD (0.49) ATMALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL16133036 0.82 KDM4E (0.54) ATMALDH1A1SMN1; SMN2HPGDCYP1A2
SCHEMBL22106531 0.82 NPC1 (0.58) ALDH1A1MAPTHPGDKDM4EPOLB
SCHEMBL13778300 0.81 KDM4E (0.56) ATMALDH1A1SMN1; SMN2HPGDCYP1A2

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-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 — — 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-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS CSNK1G1, PRKCE, PHKG1 ATM 449/4885ALDH1A1 4487/4885SMN1; SMN2 3119/4885

“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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