SCHEMBL4977901

SCHEMBL4977901

Cc1nc2cc(NC(=O)Cn3cnc4cccc(C#N)c43)ccc2n1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
HCRTR1 O43613 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 1/20 0.47
AR P10275 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
USP2 O75604 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 1/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4973051 0.87 SMN1; SMN2 (0.51) ALDH1A1LMNASMN1; SMN2HTTAR
SCHEMBL4977076 0.87 LMNA (0.48) ALDH1A1LMNAHCRTR1SMN1; SMN2HTT
SCHEMBL4977112 0.86 NPC1 (0.53) ALDH1A1SMN1; SMN2HTTARL3MBTL1
SCHEMBL4977085 0.84 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2HTTL3MBTL1PKM
SCHEMBL4977105 0.81 RAB9A (0.49) ALDH1A1LMNAHCRTR1SMN1; SMN2HTT
SCHEMBL4973789 0.80 SMN1; SMN2 (0.49) ALDH1A1LMNASMN1; SMN2HTTAR
SCHEMBL4978479 0.78 SMN1; SMN2 (0.66) ALDH1A1LMNASMN1; SMN2HTTAR
SCHEMBL3032795 0.76 RXFP1 (0.59) ALDH1A1LMNASMN1; SMN2ARL3MBTL1
SCHEMBL3042146 0.76 CSF1R (0.51) ALDH1A1SMN1; SMN2KMT2APOLBMEN1
SCHEMBL4979213 0.76 HTT (0.59) ALDH1A1LMNASMN1; SMN2HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015222-A1 New Heterocyclic Amides ASTRAZENECA AB (SE) 2008-01-17 US claimed
EP-1797067-A1 NEW HETEROCYCLIC AMIDES AstraZeneca AB (SE) 2007-06-20 EP claimed
WO-2006033620-A1 NEW HETEROCYCLIC AMIDES ASTRAZENECA AB (SE) 2006-03-30 WO claimed
US-20080015222-A1 New Heterocyclic Amides ASTRAZENECA AB (SE) 2008-01-17 US disclosed
EP-1797067-A1 NEW HETEROCYCLIC AMIDES AstraZeneca AB (SE) 2007-06-20 EP disclosed
WO-2006033620-A1 NEW HETEROCYCLIC AMIDES ASTRAZENECA AB (SE) 2006-03-30 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 (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-20080015222-A1 New Heterocyclic Amides AADAC, AVPR2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 1336/4885LMNA 2368/4885HCRTR1 1251/4885

“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.