SCHEMBL2782245

SCHEMBL2782245

NC(=O)c1cccc(-c2ccncc2)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 8/20 0.50
CHUK O15111 3/20 0.50
IKBKB O14920 3/20 0.50
IKBKE Q14164 1/20 0.49
PKMYT1 Q99640 1/20 0.49
BCAT2 O15382 1/20 0.49
ROCK2 O75116 2/20 0.48
MAP4K4 O95819 2/20 0.48
PIM1 P11309 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
PLK4 O00444 1/20 0.48
MAPK13 O15264 1/20 0.48
DYRK3 O43781 1/20 0.48
RPS6KA5 O75582 1/20 0.48
PRKD3 O94806 1/20 0.48
CHEK2 O96017 1/20 0.48
PHKG2 P15735 1/20 0.48
PRKACA P17612 1/20 0.48
RPS6KB1 P23443 1/20 0.48
CSNK1D P48730 1/20 0.48

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
SCHEMBL30841448 0.84 BCAT2 (0.69) IKBKBBCAT2PARP1
SCHEMBL2782196 0.83 ALDH1A1 (0.45) CDC7CHUKIKBKBCSNK1DCLK2
SCHEMBL164881 0.82 BCAT2 (0.71) CDC7CHUKIKBKBIKBKEPKMYT1
SCHEMBL2781854 0.82 ALDH1A1 (0.41) CDC7CHUKIKBKBIKBKEPKMYT1
SCHEMBL7143118 0.81 CHUK (0.61) CDC7CHUKIKBKBIKBKEPKMYT1
Hydrochloric Acid SCHEMBL4597839 0.81 BCAT2 (0.69) CDC7CHUKIKBKBIKBKEPKMYT1
Hydrochloric Acid SCHEMBL29710331 0.81 BCAT2 (0.69) CDC7CHUKIKBKBIKBKEPKMYT1
Hydrochloric Acid SCHEMBL9027847 0.81 BCAT2 (0.69) CDC7CHUKIKBKBIKBKEPKMYT1
SCHEMBL23455761 0.80 CDC7 (0.57) CDC7CHUKIKBKBIKBKEPKMYT1
SCHEMBL31419622 0.80 BCAT2 (0.49) IKBKBBCAT2MKNK2PARP1BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3277677-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS Mission Therapeutics Limited (GB) 2018-02-07 EP disclosed
WO-2016156816-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2016-10-06 WO disclosed
CN-1997630-B New disubstituted phenylpiperidines as modulators of dopamine neurotransmission NEUROSEARCH SWEDEN AB 2013-01-30 CN disclosed
US-8314126-B2 Disubstituted phenylpiperdines/piperazines as modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2012-11-20 US disclosed
US-7851629-B2 Disubstituted phenylpiperidines as modulators of dopamine and serotonin neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-12-14 US disclosed
US-20100256163-A1 DISUBSTITUTED PHENYLPIPERDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION SANIONA AB (DK) 2010-10-07 US disclosed
US-7763639-B2 Disubstituted phenylpiperidines/piperazines as modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-07-27 US disclosed
EP-2204363-A1 New disubstituted phenylpiperidines/piperazines as modulators of dopamine neurotransmission NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2010-07-07 EP disclosed
EP-1768958-B1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2009-11-18 EP disclosed
US-20070179185-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2007-08-02 US disclosed
CN-1997631-A New disubstituted phenylpiperidines as modulators of dopamine and serotonin neurotransmission NEUROSEARCH SWEDEN AB (SE) 2007-07-11 CN disclosed
CN-1997630-A New disubstituted phenylpiperidines as modulators of dopamine neurotransmission NEUROSEARCH SWEDEN AB (SE) 2007-07-11 CN disclosed
US-20070149542-A1 DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION SANIONA AB (DK) 2007-06-28 US disclosed
EP-1773772-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-04-18 EP disclosed
EP-1768958-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-04-04 EP disclosed
WO-2005121088-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 WO disclosed
WO-2005121087-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 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 (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-20100256163-A1 DISUBSTITUTED PHENYLPIPERDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION DRD2, DRD4, DRD1 CDC7 4272/4885CHUK 2707/4885IKBKB 3806/4885
US-20070149542-A1 DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION DRD2, DRD4, DRD1 CDC7 4143/4885CHUK 2684/4885IKBKB 4039/4885
US-20070179185-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION DRD2, DRD4, HTR4 CDC7 4016/4885CHUK 2446/4885IKBKB 3851/4885

“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.