SCHEMBL17969578

SCHEMBL17969578

Cc1c(N)cccc1Nc1cc(C#Cc2cnc3ccc(-c4cc[c]cc4)cn23)ccn1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.34
TGFBR1 P36897 14/20 0.34
PIK3CA P42336 1/20 0.30
EPHB3 P54753 1/20 0.30
NTRK1 P04629 1/20 0.30
NTRK3 Q16288 1/20 0.30
NTRK2 Q16620 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
SCHEMBL17969551 0.81 TGFBR1 (0.36) TGFBR1PIK3CA
SCHEMBL16620198 0.80 MKNK1 (0.38)
SCHEMBL17969567 0.71 FYN (0.37) NTRK1NTRK3NTRK2
SCHEMBL16620553 0.70 TGFBR1 (0.37) MAPK10TGFBR1
SCHEMBL16620625 0.69 MKNK1 (0.40)
SCHEMBL24520047 0.68 PIK3CA (0.34) TGFBR1PIK3CAEPHB3
SCHEMBL16621055 0.68 TGFBR1 (0.39) TGFBR1
SCHEMBL16620506 0.68 MKNK1 (0.39)
SCHEMBL24520046 0.68 PIK3CA (0.34) TGFBR1PIK3CA
SCHEMBL17969550 0.67 TGFBR1 (0.37) TGFBR1PIK3CA

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-10544149-B2 Bicyclic alkyne derivatives and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-01-28 US disclosed
US-20180194771-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-07-12 US disclosed
US-20160229860-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-08-11 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 (3 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-20160229860-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF MAPKAPK2, CAMKK2, MKNK2 MAPK10 225/4885TGFBR1 1466/4885PIK3CA 868/4885
US-10544149-B2 Bicyclic alkyne derivatives and uses thereof MAPKAPK2, MAP4K2, MKNK2 MAPK10 224/4885TGFBR1 1502/4885PIK3CA 881/4885
US-20180194771-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF MAPKAPK2, CAMKK2, MKNK2 MAPK10 225/4885TGFBR1 1466/4885PIK3CA 868/4885

“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.