SCHEMBL13857427

SCHEMBL13857427

CN1CCN(CCC(=O)Nc2cccc(Nc3cc(Nc4ccc(F)c(Cl)c4)ncn3)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
ALDH1A1 P00352 2/20 0.58
EGFR P00533 9/20 0.54
TP53 P04637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
ERBB2 P04626 2/20 0.51
ERBB4 Q15303 2/20 0.51
JAK3 P52333 2/20 0.49
RAB9A P51151 1/20 0.48
TERT O14746 1/20 0.48
KDR P35968 1/20 0.47
ERBB3 P21860 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
SCHEMBL12510779 0.90 LMNA (0.60) LMNAMAPTALDH1A1EGFRTP53
SCHEMBL12262268 0.85 EGFR (0.68) EGFRERBB2ERBB4JAK3RAB9A
SCHEMBL13857448 0.82 EGFR (0.67) LMNAMAPTALDH1A1EGFRERBB2
SCHEMBL689431 0.81 EGFR (0.55) MAPTALDH1A1EGFRERBB2ERBB3
SCHEMBL7845264 0.77 EGFR (0.47) EGFRERBB2ERBB4JAK3KDR
SCHEMBL15752411 0.76 CDK4 (0.50) LMNAMAPTALDH1A1EGFRJAK3
SCHEMBL12262262 0.76 EGFR (0.65) EGFRERBB2ERBB4JAK3
SCHEMBL7853506 0.76 EGFR (0.46) EGFRERBB2ERBB4JAK3KDR
SCHEMBL690311 0.76 MEN1 (0.49) LMNAMAPTALDH1A1EGFRTP53
SCHEMBL7853525 0.76 MCHR1 (0.47) EGFRERBB2ERBB4JAK3ERBB3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065892-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-14 US disclosed
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 (2 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-20130065892-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 LMNA 2409/4885MAPT 1888/4885ALDH1A1 684/4885
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 LMNA 2409/4885MAPT 1888/4885ALDH1A1 684/4885

“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.