SCHEMBL12136286

SCHEMBL12136286

Cc1ccc(F)c2cnccc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.38
CYP1A2 P05177 2/20 0.37
HIPK2 Q9H2X6 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
ACHE P22303 2/20 0.34
SLC22A12 Q96S37 2/20 0.33
AXL P30530 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP17A1 P05093 1/20 0.33
CHUK O15111 1/20 0.33
MAPT P10636 1/20 0.33
LATS1 O95835 1/20 0.33
EP300 Q09472 1/20 0.33
KAT2B Q92831 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
PTGS2 P35354 1/20 0.33
RPS6KA3 P51812 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
SCHEMBL19662991 0.92 TDO2 (0.38) TDO2CYP1A2HIPK2LOXL2ACHE
SCHEMBL812489 0.84 CYP1A2 (0.46) TDO2CYP1A2HIPK2ACHESLC22A12
SCHEMBL1350740 0.75 AXL (0.55) TDO2CYP1A2LOXL2AXLCHUK
SCHEMBL29456309 0.75 AXL (0.60) TDO2LOXL2ACHESLC22A12AXL
SCHEMBL3713073 0.75 AXL (0.60) TDO2LOXL2ACHESLC22A12AXL
SCHEMBL24724775 0.75 AXL (0.55) TDO2CYP1A2HIPK2ACHESLC22A12
SCHEMBL13049641 0.75 TDP1 (0.37) TDO2CYP1A2HIPK2ACHESLC22A12
SCHEMBL18103466 0.75 GAA (0.43) TDO2CYP1A2HIPK2ACHESLC22A12
SCHEMBL17571743 0.75 AXL (0.60) TDO2CYP1A2HIPK2AXLSIRT3
SCHEMBL20824781 0.75 LOXL2 (0.40) LOXL2SLC22A12MAPTLATS1

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
CN-114929673-A Isoquinolinone derivatives, preparation method thereof, and pharmaceutical composition for preventing or treating poly (ADP-ribose) polymerase 1(PARP-1) -related diseases comprising the same as active ingredient 多临生物株式会社 2022-08-19 CN disclosed
US-20170152240-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-06-01 US disclosed
US-20170008905-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 US disclosed
US-8063078-B2 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain GLAXOSMITHKLINE LLC (US) 2011-11-22 US disclosed
US-8063078-B2 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain GLAXOSMITHKLINE LLC (US) 2011-11-22 US disclosed
US-20090163506-A1 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain SMITHKLINE BEECHAM PLC. (GB) 2009-06-25 US disclosed
US-20090163506-A1 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain SMITHKLINE BEECHAM PLC. (GB) 2009-06-25 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 (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-20090163506-A1 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain TRPV1, OPRL1, UTS2R TDO2 4273/4885CYP1A2 2228/4885HIPK2 4800/4885
US-20170152240-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS TDO2 3215/4885CYP1A2 4427/4885HIPK2 243/4885
US-20170008905-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS TDO2 3215/4885CYP1A2 4427/4885HIPK2 243/4885

“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.