SCHEMBL3603356

SCHEMBL3603356

O=C(NC1CCNC1)c1cc2ccc(-c3ccccc3)cc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.48
KDR P35968 1/20 0.46
USP30 Q70CQ3 1/20 0.45
PARP1 P09874 1/20 0.43
SMYD3 Q9H7B4 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
GHSR Q92847 2/20 0.43
CYP1A2 P05177 1/20 0.43
PBK Q96KB5 1/20 0.42
MLLT1 Q03111 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK8 P45983 1/20 0.42
CDK2AP1 O14519 1/20 0.41
CHEK1 O14757 1/20 0.41

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
SCHEMBL3603353 1.00 DGAT1 (0.48) DGAT1KDRUSP30PARP1SMYD3
SCHEMBL3608856 0.93 PBK (0.50) DGAT1PARP1GHSRCYP1A2PBK
SCHEMBL3608854 0.93 PBK (0.50) DGAT1PARP1GHSRCYP1A2PBK
SCHEMBL3603283 0.86 KDR (0.59) KDRPARP1MLLT1NPC1RAB9A
SCHEMBL3603280 0.86 KDR (0.59) KDRPARP1MLLT1NPC1RAB9A
SCHEMBL3603913 0.82 ALOX15 (0.56) KDRSMYD3MLLT1
SCHEMBL3603019 0.82 ALOX15 (0.56) KDRSMYD3MLLT1
SCHEMBL3603024 0.82 ALOX15 (0.56) KDRSMYD3MLLT1
SCHEMBL3599029 0.82 DRD4 (0.52) KDRPARP1SMYD3PBKMLLT1
SCHEMBL3599033 0.82 DRD4 (0.52) KDRPARP1SMYD3PBKMLLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US claimed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US disclosed
WO-2009158375-A1 AZA-CYLIC INDOLE- 2 -CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-30 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT DGAT1 2429/4885KDR 3809/4885USP30 1976/4885

“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.