SCHEMBL14235596

SCHEMBL14235596

Fc1cc(F)cc(CNc2ncc(CC3CNc4ncc(Cl)cc43)cn2)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ DYRK1A Q13627 6/20 0.32
▸ CLK1 P49759 5/20 0.32
▸ VNN1 O95497 2/20 0.32
▸ CCNT1 O60563 4/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.30
▸ CDK9 P50750 1/20 0.30

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
SCHEMBL14236264 0.90 VNN1 (0.42) NTRK1VNN1HDAC3HDAC1HDAC2
SCHEMBL14236233 0.90 NTRK1 (0.41) NTRK1DYRK1ACLK1CCNT1
SCHEMBL14235722 0.86 HDAC3 (0.47) NTRK1DYRK1AHDAC3HDAC1HDAC2
SCHEMBL14236271 0.86 VNN1 (0.41) NTRK1VNN1HDAC3HDAC1HDAC2
SCHEMBL14236211 0.86 HDAC1 (0.38) CYP2C9VNN1CCNT1HDAC3HDAC1
SCHEMBL14235595 0.85 CYP2C9 (0.36) NTRK1CYP2C9CYP3A4VNN1CCNT1
SCHEMBL14236090 0.84 HDAC3 (0.45) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL14236274 0.83 VNN1 (0.41) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL14235873 0.81 HDAC3 (0.37) NTRK1CYP2C9CYP3A4VNN1HDAC3
SCHEMBL12304080 0.81 VNN1 (0.41) NTRK1CYP2C9VNN1CCNT1HDAC3

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-20120309756-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON INC 2012-12-06 — — 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-20120309756-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 NTRK1 472/4885CYP2C9 4122/4885CYP3A4 3847/4885

“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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