SCHEMBL14773095

SCHEMBL14773095

N#CC1(C(=O)Nc2cccc(Nc3cc(Nc4ccc(F)c(CI)c4)ncn3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.42
▸ EGFR P00533 6/20 0.40
▸ ERBB4 Q15303 1/20 0.40
▸ MET P08581 4/20 0.40
▸ KDR P35968 1/20 0.40
▸ EGLN2 Q96KS0 1/20 0.39
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38
▸ TUBA4A P68366 1/20 0.38
▸ TUBB4B P68371 1/20 0.38
▸ TUBB3 Q13509 1/20 0.38
▸ TUBB2A Q13885 1/20 0.38
▸ TUBB8 Q3ZCM7 1/20 0.38
▸ TUBA3E Q6PEY2 1/20 0.38
▸ TUBA1A Q71U36 1/20 0.38
▸ TUBA1C Q9BQE3 1/20 0.38
▸ TUBB6 Q9BUF5 1/20 0.38
▸ TUBB2B Q9BVA1 1/20 0.38

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
SCHEMBL12510766 0.88 BACE1 (0.43) BACE1EGFRERBB4METKDR
SCHEMBL12310628 0.86 BACE1 (0.45) BACE1EGFRERBB4METKDR
SCHEMBL691621 0.86 EGFR (0.43) BACE1EGFRERBB4METERBB3
SCHEMBL14773112 0.83 MET (0.46) EGFRERBB4METKDRTUBB4A
SCHEMBL14773075 0.82 ERBB2 (0.40) EGFRMETKDRBTK
SCHEMBL14773110 0.79 LCK (0.47) BACE1EGFRKDRERBB3
SCHEMBL14773072 0.79 EGFR (0.63) EGFRBTKJAK3JAK1JAK2
SCHEMBL14773111 0.78 GRM4 (0.40) EGFRERBB4KDRERBB3JAK3
SCHEMBL14773074 0.76 LCLAT1 (0.42) EGFRERBB4METKDRTUBB4A
SCHEMBL14773096 0.76 CCNT1 (0.42) EGFRERBB4METKDRBTK

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-20130065892-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-14 — — 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-20130065892-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 BACE1 386/4885EGFR 1981/4885ERBB4 1903/4885

“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.

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