SCHEMBL20883286

SCHEMBL20883286

CN=CNC1CCN(c2cnc3[nH]cc(-c4ccncc4)c3c2)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 12/20 0.43
▸ MAPK1 P28482 3/20 0.41
▸ SLC2A1 P11166 1/20 0.40
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CG P48736 4/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 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
SCHEMBL17939337 0.82 NTRK1 (0.46) NTRK1MAPK1SLC2A1PIK3CAPIK3CG
SCHEMBL17939340 0.82 NTRK1 (0.46) NTRK1MAPK1SLC2A1PIK3CAPIK3CG
SCHEMBL17951910 0.80 NTRK1 (0.47) NTRK1MAPK1SLC2A1PIK3CAPIK3CG
SCHEMBL17939097 0.80 JAK3 (0.50) NTRK1MAPK1
SCHEMBL17939488 0.80 JAK3 (0.50) NTRK1MAPK1
SCHEMBL17939098 0.80 JAK3 (0.50) NTRK1MAPK1
SCHEMBL19068203 0.76 NTRK1 (0.54) NTRK1MAPK1SLC2A1PIK3CAPIK3CG
SCHEMBL17939062 0.76 JAK3 (0.45) NTRK1MAPK1
SCHEMBL19068207 0.75 NTRK1 (0.53) NTRK1MAPK1SLC2A1PIK3CAPIK3CG
SCHEMBL17939583 0.75 JAK3 (0.46) NTRK1

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-20190106439-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER CONFLUENCE LIFE SCIENCES, INC. 2019-04-11 — — 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 (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-20190106439-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, NFKBIA, TNNI3K NTRK1 2003/4885MAPK1 609/4885SLC2A1 4224/4885

“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.

Send feedback