SCHEMBL5659516

SCHEMBL5659516

NC(=O)c1n[nH]c2c(C(F)(F)F)cc(C[CH]C(=O)N3CCN(C4CCNCC4)CC3)cc12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.32
EML4 Q9HC35 2/20 0.31
RET P07949 1/20 0.30
ROS1 P08922 1/20 0.30
FLT3 P36888 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
SCHEMBL5658637 0.93 RBP4 (0.31)
SCHEMBL5660076 0.90 RBP4 (0.34)
SCHEMBL5660260 0.76 F2 (0.31)
SCHEMBL5660062 0.76 BTK (0.33)
SCHEMBL6135494 0.76 L3MBTL3 (0.35)
SCHEMBL4857017 0.76 LRRK2 (0.38)
SCHEMBL4855835 0.75 CYP3A4 (0.38)
SCHEMBL5659967 0.74 CALCA (0.40)
SCHEMBL5660550 0.74 CALCA (0.40)
SCHEMBL5660456 0.73 PARP1 (0.33)

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-7205294-B2 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-17 US disclosed
US-20050227968-A1 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-13 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-20050227968-A1 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BDKRB1, BDKRB2, CALCRL ALK 2350/4885EML4 2373/4885RET 1065/4885

“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.