SCHEMBL17354473

SCHEMBL17354473

NCCCNCc1ccc(-c2c[nH]c(NC(=O)Nc3ccccc3OCF)nc2=O)cc1F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.37
P2RY1 P47900 2/20 0.34
RET P07949 5/20 0.33
KDR P35968 3/20 0.33
CHEK1 O14757 2/20 0.33
BTK Q06187 1/20 0.33
KCNH2 Q12809 1/20 0.33
ROCK2 O75116 1/20 0.33
LIMK1 P53667 1/20 0.33
ACHE P22303 4/20 0.33

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
SCHEMBL17354480 0.93 IGF1R (0.36) IGF1RCHEK1ROCK2LIMK1
SCHEMBL14147 0.90 KDR (0.38) IGF1RP2RY1RETKDR
SCHEMBL17354474 0.90 IGF1R (0.40) IGF1RP2RY1RETKDRKCNH2
SCHEMBL17354506 0.89 IGF1R (0.38) IGF1RCHEK1ROCK2LIMK1
SCHEMBL17486551 0.88 IGF1R (0.35) IGF1RCHEK1ACHE
SCHEMBL17486571 0.88 IGF1R (0.38) IGF1RROCK2LIMK1
SCHEMBL17354162 0.87 KDR (0.36) KDRROCK2LIMK1
SCHEMBL17486554 0.87 P2RY1 (0.35) IGF1RP2RY1RETKDRKCNH2
SCHEMBL17486573 0.87 IGF1R (0.35) IGF1RCHEK1
SCHEMBL13768 0.85 CA12 (0.34) IGF1RRETKDRROCK2LIMK1

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-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 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-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT IGF1R 4795/4885P2RY1 3578/4885RET 4806/4885

“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.