SCHEMBL15840752

SCHEMBL15840752

Cc1ccc2c(C)nc(Nc3nc(CCC(C)C)cc(=O)[nH]3)nc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.74
MAPT P10636 17/20 0.67
ALDH1A1 P00352 14/20 0.67
KMT2A Q03164 7/20 0.61
MEN1 O00255 2/20 0.61
SMN1; SMN2 Q16637 5/20 0.60
LMNA P02545 5/20 0.60
HTT P42858 4/20 0.60
CYP1A2 P05177 3/20 0.60
CYP3A4 P08684 3/20 0.60
CYP2C9 P11712 3/20 0.60
CYP2C19 P33261 3/20 0.60
STAT3 P40763 2/20 0.60
ALPL P05186 2/20 0.60
XBP1 P17861 2/20 0.60
CYP2D6 P10635 1/20 0.60
USP2 O75604 1/20 0.55
EGFR P00533 1/20 0.55
ERBB2 P04626 1/20 0.55
PAX8 Q06710 2/20 0.52

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
SCHEMBL15840684 0.92 MAPT (0.64) CREBBPMAPTALDH1A1KMT2AMEN1
SCHEMBL15840695 0.88 MAPT (0.74) CREBBPMAPTALDH1A1KMT2AMEN1
SCHEMBL2464550 0.88 CREBBP (0.75) CREBBPMAPTALDH1A1KMT2AMEN1
SCHEMBL15840773 0.83 MAPT (0.69) CREBBPMAPTALDH1A1KMT2AMEN1
SCHEMBL15840580 0.81 CREBBP (0.65) CREBBPMAPTALDH1A1KMT2AMEN1
SCHEMBL15840769 0.81 STAT3 (0.74) CREBBPMAPTALDH1A1KMT2AMEN1
SCHEMBL15840585 0.79 MAPT (0.74) CREBBPMAPTALDH1A1KMT2AMEN1
SCHEMBL15840609 0.78 STAT3 (0.74) CREBBPMAPTALDH1A1KMT2AMEN1
SCHEMBL12473146 0.78 MAPT (0.85) CREBBPMAPTALDH1A1KMT2AMEN1
SCHEMBL15840788 0.76 MAPT (1.00) CREBBPMAPTALDH1A1KMT2AMEN1

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 CREBBP 1243/4885MAPT 1076/4885ALDH1A1 4348/4885

“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.