SCHEMBL8240673

SCHEMBL8240673

CC(C)c1cccc(-c2cccc(C#N)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.49
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
LIPG Q9Y5X9 1/20 0.45
GABRG2 P18507 3/20 0.44
GABRB3 P28472 3/20 0.44
GABRA5 P31644 3/20 0.44
GABRA3 P34903 3/20 0.44
XDH P47989 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
GABRA1 P14867 1/20 0.44

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
SCHEMBL104898 0.88 GLA (0.46) CLK4CTSSCTSK
SCHEMBL12919972 0.87 ADAMTS4 (0.48) CLK4PSEN1PSEN2APH1BNCSTN
SCHEMBL24726522 0.87 RXRA (0.54) RXRARXRBRXRGCTSSCTSK
SCHEMBL28747372 0.86 CLK4 (0.46) CLK4PSEN1PSEN2APH1BNCSTN
SCHEMBL10022432 0.84 CYP11B1 (0.49) RXRARXRBRXRGCTSSCTSK
SCHEMBL2154026 0.82 CLK4 (0.65) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL5352034 0.82 RXRA (0.62) RXRARXRBRXRGCTSSCTSK
SCHEMBL18977756 0.81 CLK4 (0.49) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL598181 0.80 RXRA (0.66) RXRARXRBRXRGCTSSCTSK
SCHEMBL27787243 0.80 CLK4 (0.63) CLK4GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873295-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PETRA PHARMA CORPORATION (US) 2024-01-16 US disclosed
US-20230017140-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2023-01-19 US disclosed
WO-2022234965-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT 주식회사 보로노이 2022-11-10 WO disclosed
US-8202854-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-06-19 US disclosed
WO-2012068589-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2012-05-24 WO disclosed
US-20110280867-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2011-11-17 US disclosed
US-8012960-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2011-09-06 US disclosed
US-20100247519-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2010-09-30 US disclosed
EP-1896477-B1 ASPARTYL PROTEASE INHIBITORS SCHERING CORP (US) 2010-09-22 EP disclosed
US-7645799-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 US disclosed
US-7645799-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 US disclosed
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-05 US disclosed
US-7459564-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 US disclosed
US-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC 2008-08-14 US disclosed
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
US-20070099898-A1 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME LLC 2007-05-03 US disclosed
WO-2007050721-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2007-05-03 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 (9 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-20070099898-A1 Heterocyclic aspartyl protease inhibitors CHRM1, ACHE, CHRM2 CLK4 2228/4885RXRA 2620/4885RXRB 2732/4885
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 CLK4 3504/4885RXRA 847/4885RXRB 1041/4885
US-11873295-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PIK3CA, PIK3R4, PIK3R5 CLK4 1127/4885RXRA 928/4885RXRB 798/4885
US-20100247519-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, ACHE, CHRM2 CLK4 2228/4885RXRA 2620/4885RXRB 2732/4885
US-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFKP, PF4, P2RY4 CLK4 1082/4885RXRA 1089/4885RXRB 1294/4885
US-20230017140-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 CLK4 1127/4885RXRA 928/4885RXRB 798/4885
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 CLK4 3796/4885RXRA 287/4885RXRB 608/4885
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, F3, F12 CLK4 542/4885RXRA 3455/4885RXRB 3838/4885
US-20110280867-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, ACHE, CHRM2 CLK4 2228/4885RXRA 2620/4885RXRB 2732/4885

“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.