SCHEMBL12851923

SCHEMBL12851923

CNC(=O)n1cc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)ccc2C)cn1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 13/20 0.75
▸ DDR1 Q08345 1/20 0.73
▸ KIT P10721 4/20 0.73
▸ FGFR1 P11362 4/20 0.70
▸ KDR P35968 3/20 0.70
▸ CYP2C9 P11712 1/20 0.69
▸ PDGFRA P16234 1/20 0.69
▸ CYP2C19 P33261 1/20 0.69
▸ FLT3 P36888 1/20 0.69
▸ LRRK2 Q5S007 1/20 0.69
▸ HDAC6 Q9UBN7 1/20 0.69

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
SCHEMBL4112245 0.86 ABL1 (1.00) ABL1KITFGFR1KDRCYP2C9
SCHEMBL13813533 0.85 KIT (0.64) ABL1KITKDR
SCHEMBL22549164 0.85 KIT (0.84) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL19317717 0.85 ABL1 (0.84) ABL1DDR1KITFGFR1KDR
SCHEMBL24626458 0.85 KIT (0.84) ABL1KITFGFR1KDRCYP2C9
SCHEMBL21730540 0.85 FGFR1 (0.85) ABL1KITFGFR1KDRCYP2C9
SCHEMBL29675188 0.85 KIT (0.84) ABL1KITFGFR1KDRCYP2C9
SCHEMBL3432243 0.84 DDR1 (1.00) ABL1DDR1KITFGFR1KDR
SCHEMBL31620735 0.84 KIT (1.00) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL13765778 0.84 KIT (1.00) ABL1DDR1KITFGFR1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005738-A1 Monocyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-01-03 — — US disclosed
US-8278307-B2 Monocyclic Heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2012-10-02 — — US disclosed
US-20090149471-A1 Monocyclic Heterocyclic Compounds ARIAD PHARMACEUTICALS, INC. 2009-06-11 — — 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-20090149471-A1 Monocyclic Heterocyclic Compounds CYP11B2, CYP3A5, CYP1A2 ABL1 357/4885DDR1 4773/4885KIT 813/4885
US-20130005738-A1 Monocyclic Heteroaryl Compounds CYP3A43, CYP2F1, CYP11B2 ABL1 71/4885DDR1 4818/4885KIT 1003/4885

“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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