SCHEMBL15510693

SCHEMBL15510693

Cc1ccc(C(=O)Nc2cc(-n3ccnc3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccncn12

nearest known ligand 0.87

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 19/20 0.87
DDR1 Q08345 2/20 0.59
NTRK1 P04629 1/20 0.59
NTRK3 Q16288 1/20 0.59
NTRK2 Q16620 1/20 0.59
DDR2 Q16832 1/20 0.59
BCR P11274 1/20 0.57
KIT P10721 1/20 0.56

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
SCHEMBL588662 0.93 ABL1 (1.00) ABL1DDR1NTRK1NTRK3NTRK2
SCHEMBL589428 0.93 ABL1 (0.86) ABL1DDR1NTRK1NTRK3NTRK2
Hydrochloric Acid SCHEMBL31734730 0.92 ABL1 (0.85) ABL1DDR1NTRK1NTRK3NTRK2
SCHEMBL15511376 0.91 ABL1 (0.77) ABL1BCR
SCHEMBL9610977 0.88 ABL1 (1.00) ABL1
SCHEMBL30010196 0.88 ABL1 (1.00) ABL1
SCHEMBL9610965 0.87 ABL1 (1.00) ABL1DDR1NTRK1NTRK3NTRK2
SCHEMBL4121584 0.86 ABL1 (0.73) ABL1BCR
SCHEMBL589960 0.86 ABL1 (1.00) ABL1DDR1NTRK1NTRK3NTRK2
SCHEMBL15061695 0.86 ABL1 (0.88) ABL1DDR1NTRK1NTRK3NTRK2

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-20140066434-A1 Methods and Compositions for Treating Parkinson's Disease ARIAD PHARMACEUTICALS, INC. (US) 2014-03-06 US claimed
US-20140066434-A1 Methods and Compositions for Treating Parkinson's Disease ARIAD PHARMACEUTICALS, INC. (US) 2014-03-06 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-20140066434-A1 Methods and Compositions for Treating Parkinson's Disease PARK7, SNCA, HTT ABL1 2649/4885DDR1 4848/4885NTRK1 4165/4885

“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.