SCHEMBL18878233

SCHEMBL18878233

NC(=O)c1cc(F)cc([C@H]2CCCN2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 16/20 0.48
PARP2 Q9UGN5 5/20 0.41
MAP4K4 O95819 1/20 0.38
CSF1R P07333 1/20 0.38
PIM1 P11309 1/20 0.38
CLK2 P49760 1/20 0.38
MAP4K2 Q12851 1/20 0.38
DYRK1A Q13627 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
AURKB Q96GD4 1/20 0.38
MAP4K5 Q9Y4K4 1/20 0.38
PARP3 Q9Y6F1 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL24527009 0.82 KCNH2 (0.40) PARP1
SCHEMBL15039527 0.81 CHRNB2 (0.46) PARP1CHRNB2CHRNA7CHRNA4
SCHEMBL21723224 0.81 CHRNB2 (0.46) PARP1CHRNB2CHRNA7CHRNA4
SCHEMBL18704814 0.81 CHRNB2 (0.46) PARP1CHRNB2CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL15017116 0.79 CHRNB2 (0.44) PARP1CHRNB2CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL15017117 0.79 CHRNB2 (0.44) PARP1CHRNB2CHRNA7CHRNA4
SCHEMBL9947719 0.76 PARP1 (0.42) PARP1PARP2
SCHEMBL22089706 0.76 CHRNB2 (0.40) PARP1CHRNB2CHRNA7CHRNA4
SCHEMBL3333833 0.76 PARP1 (0.50) PARP1PARP2PARP3CHRNB2CHRNA7
SCHEMBL3244198 0.76 PARP1 (0.44) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046697-B2 Compounds and compositions useful for treating disorders related to NTRK BLUEPRINT MEDICINES CORPORATION 2021-06-29 US disclosed
US-10370379-B2 Compounds and compositions useful for treating disorders related to NTRK BLUEPRINT MEDICINES CORPORATION (US) 2019-08-06 US disclosed
US-20190169194-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK BLUEPRINT MEDICINES CORPORATION 2019-06-06 US disclosed
US-20170145018-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK BLUEPRINT MEDICINES CORPORATION 2017-05-25 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 (4 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-11046697-B2 Compounds and compositions useful for treating disorders related to NTRK NTRK3, NTRK2, NTRK1 PARP1 3401/4885PARP2 2870/4885MAP4K4 1149/4885
US-10370379-B2 Compounds and compositions useful for treating disorders related to NTRK NTRK3, NTRK2, NTRK1 PARP1 3199/4885PARP2 2761/4885MAP4K4 1236/4885
US-20190169194-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK NTRK3, NTRK2, NTRK1 PARP1 3401/4885PARP2 2870/4885MAP4K4 1149/4885
US-20170145018-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK NTRK2, NTRK3, NTRK1 PARP1 3183/4885PARP2 2899/4885MAP4K4 973/4885

“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.