SCHEMBL15840774

SCHEMBL15840774

Cc1ccc2nc(Nc3nc(=O)c(C)c(C)[nH]3)nc(C)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.61
ALDH1A1 P00352 9/20 0.61
KMT2A Q03164 5/20 0.61
LMNA P02545 3/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
TDP2 O95551 1/20 0.54
KDM4E B2RXH2 4/20 0.53
VSIR Q9H7M9 1/20 0.51
CREBBP Q92793 2/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
MEN1 O00255 2/20 0.48
STAT3 P40763 2/20 0.48
USP2 O75604 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 2/20 0.47

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
SCHEMBL15836645 0.90 CREBBP (0.59) MAPTALDH1A1KMT2ALMNACYP1A2
SCHEMBL30917202 0.86 TDP2 (0.74) MAPTALDH1A1KMT2ALMNACYP1A2
SCHEMBL837878 0.86 TDP2 (0.74) MAPTALDH1A1KMT2ALMNACYP1A2
SCHEMBL838117 0.85 ALDH1A1 (0.47) MAPTALDH1A1KMT2ALMNACYP1A2
SCHEMBL15840832 0.84 MAPT (0.55) MAPTALDH1A1KMT2ALMNACYP1A2
SCHEMBL16797475 0.83 AURKA (0.70) MAPTALDH1A1KMT2ALMNACYP1A2
SCHEMBL15840776 0.82 MAPT (0.59) MAPTALDH1A1KMT2ALMNACYP1A2
SCHEMBL15840657 0.80 STAT3 (0.72) MAPTALDH1A1KMT2ALMNACYP1A2
SCHEMBL838542 0.79 ALDH1A1 (0.55) MAPTALDH1A1KMT2ALMNACYP1A2
SCHEMBL15840834 0.78 MAPT (0.68) MAPTALDH1A1KMT2ALMNACYP1A2

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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 MAPT 1076/4885ALDH1A1 4348/4885KMT2A 3667/4885

“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.