SCHEMBL16989331

SCHEMBL16989331

CC(Nc1nc(-c2cnccn2)nc(Cl)c1-c1c(F)cc(OCCCN(C)C)cc1F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 14/20 0.36
LIMK2 P53671 13/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAPK14 Q16539 1/20 0.34
LATS1 O95835 1/20 0.32
LATS2 Q9NRM7 1/20 0.32
TESK1 Q15569 1/20 0.30
TESK2 Q96S53 1/20 0.30
ESR1 P03372 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
SCHEMBL15626293 1.00 LIMK1 (0.36) LIMK1LIMK2HRH3MAPK14LATS1
SCHEMBL4019003 0.89 LIMK1 (0.38) LIMK1LIMK2MAPK14LATS1LATS2
SCHEMBL4018434 0.89 LIMK1 (0.38) LIMK1LIMK2MAPK14LATS1LATS2
SCHEMBL4017708 0.89 LIMK1 (0.38) LIMK1LIMK2MAPK14LATS1LATS2
SCHEMBL16989342 0.88 FFAR1 (0.36) LIMK1MAPK14ESR1
SCHEMBL15626286 0.88 FFAR1 (0.36) LIMK1MAPK14ESR1
SCHEMBL4018558 0.86 LIMK1 (0.37) LIMK1LIMK2HRH3ESR1
SCHEMBL5538104 0.84 LATS1 (0.34) LIMK1LIMK2MAPK14LATS1LATS2
SCHEMBL4020442 0.84 LIMK1 (0.36) LIMK1LIMK2HRH3ESR1
SCHEMBL4021324 0.84 LATS1 (0.38) LIMK1LIMK2MAPK14LATS1LATS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903436-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES UNIV PENNSYLVANIA (US) 2019-07-17 EP disclosed
EP-3219207-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES The Trustees Of The University Of Pennsylvania (US) 2017-09-20 EP disclosed
EP-3219207-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES The Trustees Of The University Of Pennsylvania (US) 2017-09-20 EP disclosed
US-20170173016-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES NIH - DEITR 2017-06-22 US disclosed
US-9649317-B2 Heterocyclic compounds and their use for the treatment of neurodegenerative tauopathies THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-05-16 US disclosed
US-20150224105-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES NIH - DEITR 2015-08-13 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 (2 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-20170173016-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES MAPT, PRNP, PSEN2 LIMK1 1122/4885LIMK2 653/4885HRH3 928/4885
US-20150224105-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES MAPT, SYNJ1, PARK7 LIMK1 723/4885LIMK2 601/4885HRH3 2374/4885

“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.