SCHEMBL5637546

SCHEMBL5637546

Nc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
RAB9A P51151 1/20 0.59
KDM4E B2RXH2 6/20 0.57
ALDH1A1 P00352 5/20 0.57
GLA P06280 1/20 0.57
HPGD P15428 3/20 0.55
KMT2A Q03164 7/20 0.54
MEN1 O00255 4/20 0.54
HSD17B10 Q99714 1/20 0.52
ALOX12 P18054 1/20 0.52
RXFP1 Q9HBX9 3/20 0.51
PKM P14618 2/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
CASP3 P42574 2/20 0.50
PIK3CA P42336 1/20 0.50
MTOR P42345 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL14514337 0.87 DDX3X (0.66) MAPTKDM4EALDH1A1GLAHPGD
SCHEMBL5639582 0.86 CASP3 (0.66) MAPTRAB9AKDM4EALDH1A1GLA
SCHEMBL6259571 0.85 KMT2A (0.74) RAB9AKDM4EALDH1A1KMT2AMEN1
SCHEMBL28062212 0.82 RAB9A (0.66) MAPTRAB9AALDH1A1KMT2AMEN1
SCHEMBL26695993 0.81 KDM4E (0.65) MAPTKDM4EALDH1A1GLAHPGD
SCHEMBL9566653 0.80 KMT2A (0.49) MAPTKDM4EALDH1A1GLAHPGD
SCHEMBL6262680 0.80 KMT2A (0.68) RAB9AKDM4EALDH1A1GLAKMT2A
SCHEMBL24236984 0.80 KDM4E (0.71) MAPTRAB9AKDM4EALDH1A1GLA
SCHEMBL12857577 0.79 CASP3 (0.78) MAPTKDM4EALDH1A1CASP3
SCHEMBL4462900 0.78 KDM4E (0.66) MAPTKDM4EALDH1A1GLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217722-B2 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2007-05-15 US disclosed
US-20040102437-A1 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2004-05-27 US disclosed
EP-1256574-A1 NITROGEN-CONTAINING COMPOUNDS HAVING KINASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-11-13 EP 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-20040102437-A1 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same TNK2, ROCK1, ROCK2 MAPT 2404/4885RAB9A 593/4885KDM4E 895/4885

“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.