SCHEMBL2173326

SCHEMBL2173326

COC(=O)c1cc(C#N)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.50
ALDH1A1 P00352 2/20 0.47
GRM4 Q14833 1/20 0.44
EGLN2 Q96KS0 1/20 0.43
AR P10275 1/20 0.43
PYGL P06737 1/20 0.43
PYGM P11217 1/20 0.43
LRRK2 Q5S007 1/20 0.43
GRM5 P41594 1/20 0.42
POLB P06746 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
KDM5A P29375 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 2/20 0.41
KDM6B O15054 1/20 0.41
KDM5C P41229 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41

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
SCHEMBL22556944 0.85 GRM5 (0.60) ALDH1A1GRM4GRM5GABRG2GABRB3
SCHEMBL3077434 0.83 KDM4E (0.48) ALDH1A1GRM5HCRTR1HCRTR2KDM4E
SCHEMBL1853358 0.81 ALDH1A1 (0.46) ALDH1A1GRM4EGLN2PYGLPYGM
SCHEMBL3711888 0.81 ACACB (0.60) ACACBALDH1A1ARGRM5MAPK1
SCHEMBL22637041 0.80 GRM4 (0.38) ACACBGRM4PYGLPYGMLRRK2
SCHEMBL17546406 0.80 LRRK2 (0.48) GRM4EGLN2PYGLPYGMLRRK2
SCHEMBL3709785 0.80 ACACB (0.53) ACACBALDH1A1ARMAPK1KDM4E
SCHEMBL3710270 0.80 ACACB (0.59) ACACBALDH1A1KDM4EKDM6BKDM5C
SCHEMBL31044510 0.80 ACACB (0.53) ACACBALDH1A1ARMAPK1KDM4E
SCHEMBL19249060 0.80 GRM5 (0.50) ACACBGRM4EGLN2PYGLPYGM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed
EP-3704113-B1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-10-11 EP disclosed
EP-3704113-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2020-09-09 EP disclosed
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
CN-111295382-A Bridged bicyclic compounds as modulators of farnesoid X receptors 百时美施贵宝公司 2020-06-16 CN disclosed
US-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 US disclosed
US-8778919-B2 Cyclic anilino—pyridinotriazines JANSSEN PHARMACEUTICA NV (BE) 2014-07-15 US disclosed
EP-2050446-B1 SULFONAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-05-07 EP disclosed
US-7973078-B2 Sulfonamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2011-07-05 US disclosed
US-20100222574-A1 CYCLIC ANILINO - PYRIDINOTRIAZINES JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-02 US disclosed
US-20090312328-A1 SULFONAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-12-17 US disclosed
EP-1904461-B1 CYCLIC ANILINO-PYRIDINOTRIAZINES AS GSK-3 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-08-12 EP disclosed
EP-2050446-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-04-22 EP disclosed
EP-1904461-A2 CYCLIC ANILINOPYRIDINOTRIAZINES AS GSK-3 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-02 EP disclosed
WO-2007003525-A2 CYCLIC ANILINO-PYRIDINOTRIAZINES AS GSK-3 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-11 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-20100222574-A1 CYCLIC ANILINO - PYRIDINOTRIAZINES NR4A1, NR4A2, NR5A2 ACACB 4771/4885ALDH1A1 2052/4885GRM4 296/4885
US-20090312328-A1 SULFONAMIDE COMPOUND OR SALT THEREOF PTGER1, CYSLTR1, PTGER2 ACACB 4182/4885ALDH1A1 511/4885GRM4 1400/4885
US-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H4, FXR1, NR1H2 ACACB 530/4885ALDH1A1 2602/4885GRM4 579/4885
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 ACACB 530/4885ALDH1A1 2602/4885GRM4 579/4885

“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.