SCHEMBL7058849

SCHEMBL7058849

Cc1[nH]c2cnccc2c1C(=O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 9/20 0.45
KDM5B Q9UGL1 2/20 0.45
MAP2 P11137 1/20 0.43
ADORA3 P0DMS8 1/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CHUK O15111 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
IKBKB O14920 1/20 0.41
AURKA O14965 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PIM1 P11309 1/20 0.41
TOP1 P11387 1/20 0.41
GABRA1 P14867 1/20 0.41
IDO1 P14902 1/20 0.41
HPGD P15428 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
MAOA P21397 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
SCHEMBL3236462 0.88 ACHE (0.47) ALDH1A1PARP1NPC1RAB9ANR4A2
SCHEMBL28739198 0.84 KDM5A (0.48) KDM5AKDM5BADORA3CHUKPARP1
SCHEMBL29706650 0.84 KDM5A (0.48) KDM5AKDM5BADORA3CHUKPARP1
SCHEMBL15173538 0.80 NR4A2 (0.63) KDM5AKDM5BKDM4ECHUKALDH1A1
SCHEMBL16344722 0.79 KDM5A (0.43) KDM5AKDM5BMAP2ADORA3KDM4E
SCHEMBL25942231 0.78 KDM5A (0.68) KDM5AKDM5BKDM4ESMN1; SMN2GABRP
SCHEMBL1559343 0.77 NR4A2 (0.63) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL29955041 0.72 CHUK (0.44) KDM5AKDM5BADORA3KDM4ESMN1; SMN2
SCHEMBL1569016 0.72 MAP2 (0.52) KDM5AKDM5BMAP2ADORA3KDM4E
SCHEMBL6388405 0.72 AHR (0.52) KDM5AADORA3KDM4ESMN1; SMN2CHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-03-17 US disclosed
US-20030181463-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-09-25 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 (2 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-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 KDM5A 173/4885KDM5B 211/4885MAP2 3556/4885
US-20030181463-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 KDM5A 288/4885KDM5B 377/4885MAP2 1549/4885

“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.