SCHEMBL3694809

SCHEMBL3694809

CC(C)c1cc(CN)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.41
CSNK2A1 P68400 2/20 0.40
F2 P00734 1/20 0.37
PNMT P11086 1/20 0.36
TAAR1 Q96RJ0 3/20 0.36
SLC9A1 P19634 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
GSR P00390 1/20 0.32
CYP2A6 P11509 1/20 0.32
F10 P00742 1/20 0.32

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
SCHEMBL22894079 0.86 PDE2A (0.41) LOXL2CSNK2A1F2PNMTTAAR1
SCHEMBL29467938 0.85 LOXL2 (0.39) LOXL2CSNK2A1F2PNMTADRA2C
SCHEMBL26700116 0.85 LOXL2 (0.39) LOXL2CSNK2A1F2PNMTADRA2C
SCHEMBL10257195 0.84 LOXL2 (0.41) LOXL2CSNK2A1F2TAAR1HRH3
SCHEMBL13164125 0.83 LOXL2 (0.44) LOXL2CSNK2A1F2PNMTTAAR1
SCHEMBL30876262 0.83 LOXL2 (0.44) LOXL2CSNK2A1F2PNMTTAAR1
Hydrochloric Acid SCHEMBL23833253 0.82 CSNK2A1 (0.41) LOXL2CSNK2A1TAAR1
Hydrochloric Acid SCHEMBL30193335 0.82 CSNK2A1 (0.41) LOXL2CSNK2A1TAAR1
SCHEMBL8205756 0.82 CYP1A2 (0.42) TAAR1SLC9A1ADRA2CGSRCYP2A6
SCHEMBL19658033 0.81 CSNK2A1 (0.43) LOXL2CSNK2A1PNMTHRH3ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2710018-B1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2021-12-29 EP disclosed
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 US disclosed
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 US disclosed
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-28 US disclosed
WO-2017023905-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-09 WO disclosed
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE GAUDINO JOHN 2011-03-03 US disclosed
EP-2185537-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Pfizer Inc. (US) 2010-05-19 EP disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO 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-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B LOXL2 4388/4885CSNK2A1 1869/4885F2 2219/4885
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B LOXL2 4388/4885CSNK2A1 1869/4885F2 2219/4885
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE TK1, ABL1, ROR1 LOXL2 2111/4885CSNK2A1 197/4885F2 1870/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B LOXL2 4353/4885CSNK2A1 1926/4885F2 2140/4885

“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.