SCHEMBL4787080

SCHEMBL4787080

CSc1nc(-c2ccccc2)nc(-n2ccnc2)c1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.50
KMT2A Q03164 6/20 0.50
NPSR1 Q6W5P4 6/20 0.50
MEN1 O00255 5/20 0.50
USP2 O75604 4/20 0.50
TDP1 Q9NUW8 4/20 0.50
CYP1A2 P05177 8/20 0.46
CYP3A4 P08684 8/20 0.46
CYP2D6 P10635 7/20 0.46
CYP2C19 P33261 7/20 0.46
TSHR P16473 5/20 0.46
CLK4 Q9HAZ1 4/20 0.46
CYP2C9 P11712 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TP53 P04637 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HIF1A Q16665 1/20 0.46
GAA P10253 1/20 0.44
HSD17B10 Q99714 3/20 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
SCHEMBL4786819 0.86 ALDH1A1 (0.49) LMNAKMT2ANPSR1MEN1USP2
SCHEMBL7892628 0.79 LMNA (0.50) LMNAKMT2ANPSR1MEN1USP2
SCHEMBL8382994 0.75 NPSR1 (0.59) LMNAKMT2ANPSR1MEN1USP2
SCHEMBL4787255 0.74 KDM4E (0.70) LMNAKMT2ANPSR1MEN1USP2
SCHEMBL4748855 0.74 NPSR1 (0.54) LMNAKMT2ANPSR1MEN1USP2
SCHEMBL4745253 0.73 HTT (0.53) LMNAKMT2ANPSR1MEN1USP2
SCHEMBL31156502 0.72 NPSR1 (0.57) LMNAKMT2ANPSR1MEN1USP2
Hydrochloric Acid SCHEMBL27869070 0.70 LMNA (0.78) LMNAKMT2ANPSR1MEN1USP2
SCHEMBL27852565 0.70 LMNA (0.82) LMNAKMT2ANPSR1MEN1USP2
SCHEMBL8384543 0.69 NPSR1 (0.53) LMNAKMT2ANPSR1MEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LMNA 1220/4885KMT2A 4045/4885NPSR1 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.