SCHEMBL16989342

SCHEMBL16989342

CC(Nc1nc(-c2ccccn2)nc(Cl)c1-c1c(F)cc(OCCCN(C)C)cc1F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.36
CYP1A2 P05177 2/20 0.36
ESR1 P03372 1/20 0.35
TRPM8 Q7Z2W7 4/20 0.34
IDH1 O75874 4/20 0.34
IDH2 P48735 3/20 0.34
MDM2 Q00987 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
LIMK1 P53667 1/20 0.34
MAPK14 Q16539 1/20 0.34
METAP1 P53582 1/20 0.33
CYP2C9 P11712 1/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL15626286 1.00 FFAR1 (0.36) FFAR1CYP1A2ESR1TRPM8IDH1
SCHEMBL4017130 0.89 HRH3 (0.39) FFAR1CYP1A2TRPM8IDH1IDH2
SCHEMBL4017219 0.89 HRH3 (0.39) FFAR1CYP1A2TRPM8IDH1IDH2
SCHEMBL4016503 0.89 HRH3 (0.39) FFAR1CYP1A2TRPM8IDH1IDH2
SCHEMBL15626293 0.88 LIMK1 (0.36) ESR1LIMK1MAPK14
Hydrochloric Acid SCHEMBL4017655 0.88 HRH3 (0.38) FFAR1CYP1A2TRPM8IDH1IDH2
Hydrochloric Acid SCHEMBL4017653 0.88 HRH3 (0.38) FFAR1CYP1A2TRPM8IDH1IDH2
SCHEMBL16989331 0.88 LIMK1 (0.36) ESR1LIMK1MAPK14
SCHEMBL15626310 0.88 FFAR1 (0.38) FFAR1CYP1A2TRPM8IDH1IDH2
SCHEMBL21171439 0.88 FFAR1 (0.38) FFAR1CYP1A2TRPM8IDH1IDH2

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 7 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-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 FFAR1 4671/4885CYP1A2 2028/4885ESR1 4688/4885
US-20150224105-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES MAPT, SYNJ1, PARK7 FFAR1 4575/4885CYP1A2 3274/4885ESR1 4499/4885

“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.