SCHEMBL4876518

SCHEMBL4876518

CSc1nc(-c2ccccc2)nc(SCCN2CCN(C3=COC(C4=CC=CCC4)=CO3)CC2)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.33
PSMD14 O00487 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ABCC1 P33527 1/20 0.33
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4877428 0.82 TP53 (0.36) MEN1KMT2AALDH1A1PSMD14LMNA
SCHEMBL4876974 0.79 KMT2A (0.42) MEN1KMT2AALDH1A1PSMD14LMNA
SCHEMBL4868387 0.79 DRD2 (0.35) HSD17B10TSHR
SCHEMBL4878132 0.79 ALDH1A1 (0.34) MEN1KMT2AALDH1A1RAB9AMAPT
SCHEMBL7125679 0.79 KMT2A (0.46) MEN1KMT2AALDH1A1RAB9AKDM4E
SCHEMBL4873844 0.78 ALDH1A1 (0.38) MEN1KMT2AALDH1A1PSMD14LMNA
SCHEMBL4878115 0.76 TP53 (0.33) HSD17B10TSHR
SCHEMBL4876267 0.76
SCHEMBL4874738 0.76 MEN1 (0.46) MEN1KMT2AALDH1A1NPSR1MAPT
SCHEMBL7128905 0.76 MEN1 (0.32) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393845-B2 Heteroaryl derivates, their preparation and use H. LUNDBECK A/S (DK) 2008-07-01 US claimed
US-20080027071-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2008-01-31 US claimed
EP-1399438-B1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2005-12-07 EP claimed
US-20040248883-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2004-12-09 US claimed
EP-1399438-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. Lundbeck A/S (DK) 2004-03-24 EP claimed
WO-2003002556-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2003-01-09 WO claimed
US-7393845-B2 Heteroaryl derivates, their preparation and use H. LUNDBECK A/S (DK) 2008-07-01 US disclosed
US-20080027071-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2008-01-31 US disclosed
EP-1399438-B1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2005-12-07 EP disclosed
US-20040248883-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2004-12-09 US disclosed
EP-1399438-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. Lundbeck A/S (DK) 2004-03-24 EP disclosed
WO-2003002556-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2003-01-09 WO 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-20040248883-A1 Novel heteroaryl derivatives, their preparation and use GRIN2C, GRIN2B, HTR1A MEN1 2129/4885KMT2A 2062/4885ALDH1A1 584/4885
US-20080027071-A1 Novel heteroaryl derivatives, their preparation and use GRIN2C, GRIN2B, HTR2C MEN1 2778/4885KMT2A 1897/4885ALDH1A1 1001/4885

“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.