SCHEMBL6709947

SCHEMBL6709947

Cc1ccc(CC(=O)Nc2cccc3cc(C(=O)Nc4ccc(C#N)cc4-c4nnn[nH]4)[nH]c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 4/20 0.39
PTK2B Q14289 3/20 0.36
RORC P51449 2/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPK1 P28482 1/20 0.35
PTK2 Q05397 1/20 0.34
MAP3K5 Q99683 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
BRD4 O60885 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 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
SCHEMBL6710203 0.93 PARP14 (0.41) PARP14PTK2BRORCPTK2MAP3K5
SCHEMBL6711927 0.93 PARP14 (0.44) PARP14RORCMAPTLMNA
SCHEMBL6713374 0.93 NR1H4 (0.40) PARP14PTK2BRORC
SCHEMBL6712091 0.92 PARP14 (0.39) PARP14RORCMAPTMAP3K5LMNA
SCHEMBL6713375 0.92 PARP14 (0.39) PARP14MAPTLMNABRD4HDAC1
SCHEMBL6765701 0.92 CACNA1H (0.38) PARP14RORCMAPTMAPK1MAP3K5
SCHEMBL6707721 0.92 PARP14 (0.41) PARP14SMN1; SMN2BRD4HDAC1
SCHEMBL6713731 0.92 PARP14 (0.41) PARP14RORCLMNA
SCHEMBL6713494 0.91 POLB (0.39) PARP14MAPTNPC1RAB9AMAPK1
SCHEMBL6711821 0.91 PARP14 (0.38) PARP14RORCMAPTBRD4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 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 (1 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 PARP14 2597/4885PTK2B 4069/4885RORC 1202/4885

“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.