SCHEMBL4870495

SCHEMBL4870495

CSc1nc(-c2ccccc2)nc(SCCN2CCN(c3ccc(C#N)c4c3OCCO4)CC2)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
PSMD14 O00487 1/20 0.38
NPSR1 Q6W5P4 3/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
HSD17B10 Q99714 2/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
TSHR P16473 2/20 0.34
KDM4E B2RXH2 2/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL4876508 0.88 HTR1A (0.46) DRD2HTR1A
SCHEMBL4871728 0.81 DRD2 (0.42) MEN1KMT2AALDH1A1LMNAPSMD14
SCHEMBL6177796 0.80 MEN1 (0.38) MEN1KMT2AALDH1A1LMNAPSMD14
SCHEMBL4868171 0.77 MEN1 (0.40) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL4874631 0.77 DRD2 (0.42) DRD2DRD3HTR1A
SCHEMBL5117828 0.77 DRD2 (0.46) MEN1KMT2ANPSR1POLBHTT
SCHEMBL4871786 0.77 KMT2A (0.50) MEN1KMT2AALDH1A1LMNAPSMD14
SCHEMBL4872347 0.77 ALDH1A1 (0.45) MEN1KMT2AALDH1A1LMNAPSMD14
SCHEMBL4868179 0.76 MEN1 (0.43) MEN1KMT2AALDH1A1LMNAPSMD14
SCHEMBL4872373 0.75 ALDH1A1 (0.43) MEN1KMT2AALDH1A1LMNAPSMD14

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 10 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
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.