SCHEMBL4249930

SCHEMBL4249930

Cc1nc(N)nc(C)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 5/20 0.45
KDM4E B2RXH2 4/20 0.45
PDE10A Q9Y233 1/20 0.44
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43

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
SCHEMBL5514920 0.81 ALDH1A1 (0.41) HSD17B10TP53KMT2AKDM4EPDE10A
SCHEMBL29798822 0.78 KMT2A (0.46) HSD17B10TP53KMT2AKDM4EPDE10A
SCHEMBL3543372 0.77 ALDH1A1 (0.47) HSD17B10KMT2AKDM4EPDE10AMEN1
SCHEMBL27563542 0.77 KDM4E (0.42) HSD17B10TP53KMT2AKDM4EPDE10A
SCHEMBL72281 0.76 PDE10A (0.45) HSD17B10TP53KMT2AKDM4EPDE10A
SCHEMBL26967850 0.74 P2RX3 (0.41) KMT2AKDM4EPDE10AMEN1ALDH1A1
SCHEMBL11786411 0.73 SMN1; SMN2 (0.48) HSD17B10TP53KMT2AKDM4EPDE10A
SCHEMBL3282837 0.73 PPARG (0.45) TP53KMT2AKDM4EPDE10AMEN1
SCHEMBL18704234 0.73 PDPK1 (0.43) HSD17B10TP53KMT2AKDM4EMEN1
SCHEMBL3543170 0.73 LMNA (0.38) HSD17B10TP53KMT2AKDM4EPDE10A

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
EP-1896023-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-03-12 EP claimed
WO-2006138259-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 WO claimed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
US-7498346-B2 viricide, antiinflammatory agent; autoimmune diseases; protective effects against infection of target cells by a human immunodeficiency virus (HIV); 6-Chloro-N-((R)-3-{4-[(4-methoxy-phenyl)-(4-methyl-pyridin-3-ylmethyl)-amino]-piperidin-1-yl}-butyl)-2,4-dimethyl-nicotinamide GENZYME CORPORATION (US) 2009-03-03 US disclosed
EP-1896023-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-03-12 EP disclosed
WO-2006138259-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 WO disclosed
US-20050277668-A1 viricide, antiinflammatory agent; autoimmune diseases; protective effects against infection of target cells by a human immunodeficiency virus (HIV); 6-Chloro-N-((R)-3-{4-[(4-methoxy-phenyl)-(4-methyl-pyridin-3-ylmethyl)-amino]-piperidin-1-yl}-butyl)-2,4-dimethyl-nicotinamide ANORMED INC. 2005-12-15 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-20050277668-A1 viricide, antiinflammatory agent; autoimmune diseases; protective effects against infection of target cells by a human immunodeficiency virus (HIV); 6-Chloro-N-((R)-3-{4-[(4-methoxy-phenyl)-(4-methyl-pyridin-3-ylmethyl)-amino]-piperidin-1-yl}-butyl)-2,4-dimethyl-nicotinamide CCR5, CCR2, CXCR3 HSD17B10 4348/4885TP53 3654/4885KMT2A 4039/4885

“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.