SCHEMBL15560693

SCHEMBL15560693

CNC(=O)CCc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(N)cc2)n1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ILK Q13418 1/20 0.74
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
ALOX5 P09917 3/20 0.50
CHRNA7 P36544 1/20 0.46
PTGS2 P35354 7/20 0.46
EPHX2 P34913 4/20 0.46
AKR1C3 P42330 1/20 0.46
CYP2C9 P11712 2/20 0.46
PDPK1 O15530 1/20 0.45
KCNH2 Q12809 2/20 0.44
PTGS1 P23219 1/20 0.43
MALT1 Q9UDY8 1/20 0.43
LHCGR P22888 1/20 0.42

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
SCHEMBL17077261 0.92 ILK (0.64) ILKRXRARXRBRXRGALOX5
SCHEMBL19839523 0.88 ILK (0.68) ILKRXRARXRBRXRGALOX5
SCHEMBL17077245 0.87 ILK (0.70) ILKRXRARXRBRXRGALOX5
SCHEMBL9105969 0.87 ILK (0.67) ILKRXRARXRBRXRGALOX5
SCHEMBL17077247 0.85 ILK (0.75) ILKRXRARXRBRXRGALOX5
SCHEMBL8536228 0.85 ILK (1.00) ILKRXRARXRBRXRGALOX5
SCHEMBL17087633 0.85 ILK (0.67) ILKRXRARXRBRXRGALOX5
SCHEMBL17087639 0.85 ILK (0.67) ILKRXRARXRBRXRGALOX5
SCHEMBL23645917 0.84 ILK (0.66) ILKRXRARXRBRXRGALOX5
SCHEMBL17077248 0.84 ILK (0.69) ILKRXRARXRBRXRGALOX5

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
US-11117888-B2 Irreversible inhibitors of pyruvate kinase M2 and the use thereof CHINA MEDICAL UNIVERSITY (TW) 2021-09-14 US disclosed
US-20210221801-A1 Irreversible inhibitors of pyruvate kinase M2 and the use thereof CHINA MEDICAL UNIVERSITY (TW) 2021-07-22 US disclosed
US-9457031-B2 Antibacterial protein kinase inhibitors OHIO STATE INNOVATION FOUNDATION 2016-10-04 US disclosed
US-20150258100-A1 ANTIBACTERIAL PROTEIN KINASE INHIBITORS OHIO STATE INNOVATION FOUNDATION 2015-09-17 US disclosed
EP-2879679-A2 ANTIBACTERIAL PROTEIN KINASE INHIBITORS The Ohio State University (US) 2015-06-10 EP disclosed
WO-2014022382-A2 ANTIBACTERIAL PROTEIN KINASE INHIBITORS THE OHIO STATE UNIVERSITY (US) 2014-02-06 WO disclosed
US-20100124550-A1 AMIDE INHIBITORS OF RENIN AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-20 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 (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-20100124550-A1 AMIDE INHIBITORS OF RENIN REN, ACE, AGTR2 ILK 3845/4885RXRA 2993/4885RXRB 2533/4885
US-20210221801-A1 Irreversible inhibitors of pyruvate kinase M2 and the use thereof PDK2, PDK3, PDK4 ILK 2678/4885RXRA 3747/4885RXRB 3482/4885
US-11117888-B2 Irreversible inhibitors of pyruvate kinase M2 and the use thereof PDK2, PDK3, PDK4 ILK 2678/4885RXRA 3747/4885RXRB 3482/4885
US-20150258100-A1 ANTIBACTERIAL PROTEIN KINASE INHIBITORS DMPK, MYLK3, MYLK2 ILK 1625/4885RXRA 3912/4885RXRB 2990/4885

“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.