SCHEMBL15840786

SCHEMBL15840786

Cc1nc(Nc2nc(C(C)C)cc(=O)[nH]2)nc2c(C)cccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.60
ALDH1A1 P00352 7/20 0.60
KMT2A Q03164 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
STAT3 P40763 3/20 0.54
TP53 P04637 1/20 0.54
STAT1 P42224 1/20 0.54
HSD17B10 Q99714 2/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 3/20 0.48
GAA P10253 1/20 0.45
CREBBP Q92793 2/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
PAX8 Q06710 2/20 0.41
NPC1 O15118 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
SCHEMBL15840724 0.78 MAPT (0.67) MAPTALDH1A1KMT2ASMN1; SMN2STAT3
SCHEMBL15840580 0.78 CREBBP (0.65) MAPTALDH1A1KMT2ASMN1; SMN2STAT3
SCHEMBL15840712 0.76 MAPT (0.64) MAPTALDH1A1KMT2ASMN1; SMN2STAT3
SCHEMBL15840708 0.75 MAPT (1.00) MAPTALDH1A1KMT2ASMN1; SMN2STAT3
SCHEMBL15840709 0.74 MAPT (0.52) MAPTALDH1A1KMT2ASMN1; SMN2STAT3
SCHEMBL15840757 0.73 KMT2A (0.62) MAPTALDH1A1KMT2ASMN1; SMN2STAT3
SCHEMBL2495418 0.72 MAPT (0.49) MAPTALDH1A1KMT2ASMN1; SMN2STAT3
SCHEMBL15840587 0.72 MAPT (0.52) MAPTALDH1A1KMT2ASMN1; SMN2STAT3
SCHEMBL15840687 0.70 ALDH1A1 (0.50) MAPTALDH1A1KMT2ASMN1; SMN2STAT3
SCHEMBL15840690 0.70 ALDH1A1 (0.55) MAPTALDH1A1KMT2ASMN1; SMN2STAT3

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.