SCHEMBL13857448

SCHEMBL13857448

CCC(=O)Nc1cccc(Nc2cc(Nc3ccc(F)c(Cl)c3)ncn2)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.67
TSHR P16473 2/20 0.67
ERBB2 P04626 1/20 0.52
ERBB4 Q15303 1/20 0.52
ERBB3 P21860 3/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.49
JAK3 P52333 1/20 0.48
POLB P06746 1/20 0.47
NR4A1 P22736 1/20 0.47
RAB9A P51151 1/20 0.47
FGFR1 P11362 1/20 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
SCHEMBL689431 0.90 EGFR (0.55) EGFRTSHRERBB2ERBB3MAPT
SCHEMBL690311 0.83 MEN1 (0.49) EGFRTSHRERBB3MAPTKDM4E
SCHEMBL13857427 0.82 LMNA (0.59) EGFRERBB2ERBB4ERBB3MAPT
SCHEMBL691505 0.82 EGFR (0.67) EGFRERBB2ERBB4ERBB3JAK3
SCHEMBL15302068 0.82 TSHR (1.00) TSHRMAPTKDM4ECYP3A4MEN1
SCHEMBL691545 0.81 EGFR (0.51) EGFRERBB2ERBB3MEN1KMT2A
SCHEMBL12262266 0.81 EGFR (0.48) EGFRERBB2ERBB4ERBB3MAPT
SCHEMBL690552 0.80 EGFR (1.00) EGFRERBB3ALDH1A1KMT2AJAK3
SCHEMBL691105 0.80 PIP4K2A (0.66) EGFRERBB2ERBB4
SCHEMBL691106 0.80 PIP4K2A (0.66) EGFRERBB2ERBB4

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-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 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-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885TSHR 2837/4885ERBB2 918/4885

“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.