SCHEMBL4745253

SCHEMBL4745253

CSc1nc(-c2ccccc2)nc(N2CCN(c3ccccn3)CC2)c1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.53
RAB9A P51151 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
POLB P06746 1/20 0.53
KDM4E B2RXH2 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 3/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TP53 P04637 3/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 4/20 0.45
MAPT P10636 4/20 0.45
HSD17B10 Q99714 2/20 0.43
ABCC1 P33527 1/20 0.42
ABCG2 Q9UNQ0 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
SCHEMBL4745163 0.90 ALDH1A1 (0.56) HTTRAB9ANPSR1POLBKDM4E
SCHEMBL4747988 0.85 POLB (0.48) HTTRAB9ANPSR1POLBKDM4E
SCHEMBL4748855 0.82 NPSR1 (0.54) HTTRAB9ANPSR1POLBKDM4E
SCHEMBL4787255 0.82 KDM4E (0.70) HTTRAB9ANPSR1POLBKDM4E
SCHEMBL7899940 0.80 TSHR (0.47) HTTRAB9ANPSR1POLBKDM4E
SCHEMBL4744561 0.80 ALDH1A1 (0.45) HTTRAB9AKDM4ESMN1; SMN2TSHR
SCHEMBL4814396 0.76 POLB (0.45) HTTRAB9ANPSR1POLBKDM4E
SCHEMBL8378165 0.74 POLB (0.51) HTTRAB9ANPSR1POLBKDM4E
SCHEMBL14070105 0.73 LMNA (0.58) HTTRAB9ANPSR1POLBKDM4E
SCHEMBL4787080 0.73 LMNA (0.50) HTTRAB9ANPSR1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008110891-A2 NEW HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED, (IN) 2008-09-18 WO claimed
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 US claimed
WO-2008110891-A2 NEW HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED, (IN) 2008-09-18 WO disclosed
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 US disclosed
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 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-20080221103-A1 New heterocyclic compounds LOXL4, CXCR4, LTC4S HTT 4645/4885RAB9A 1528/4885NPSR1 992/4885

“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.