SCHEMBL5101864

SCHEMBL5101864

O=C(NCc1ccccn1)c1ccc2cnccc2n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ GLS O94925 1/20 0.52
▸ RAB9A P51151 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HDAC3 O15379 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ POLB P06746 3/20 0.50
▸ ADORA2A P29274 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ ADORA1 P30542 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ CTSA P10619 2/20 0.48

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
SCHEMBL5090202 0.83 HDAC3 (0.63) SCN9ASMN1; SMN2MAPK1HDAC3HDAC1
SCHEMBL2225530 0.82 NPC1 (0.56) SCN9ASMN1; SMN2RAB9AKMT2APOLB
SCHEMBL6641462 0.81 SMN1; SMN2 (0.48) SCN9ASMN1; SMN2RAB9AMAPK1KMT2A
SCHEMBL5101919 0.80 HDAC3 (0.65) SCN9ASMN1; SMN2MAPK1HDAC3HDAC1
SCHEMBL6634510 0.80 NPC1 (0.56) RAB9AKMT2AHDAC3HDAC1HDAC2
SCHEMBL5095582 0.79 POLB (0.67) SCN9ASMN1; SMN2RAB9AKMT2AHDAC3
SCHEMBL5090143 0.79 NPC1 (0.55) RAB9AKMT2AHDAC3HDAC1HDAC2
SCHEMBL5090102 0.79 SCN9A (0.56) SCN9ASMN1; SMN2RAB9AKMT2AHDAC3
SCHEMBL5095756 0.79 CTSA (0.58) SMN1; SMN2RAB9AKMT2AHDAC3HDAC1
SCHEMBL5095610 0.79 NPC1 (0.77) SMN1; SMN2RAB9AKMT2AHDAC3HDAC1

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-20080207677-A1 Napthyridine Compounds As Rock Inhibitors GPC BIOTECH AG (DE) 2008-08-28 — — US disclosed
EP-1833832-A1 NAPTHYRIDINE COMPOUNDS AS ROCK INHIBITORS GPC Biotech AG (DE) 2007-09-19 — — EP disclosed
WO-2007060028-A1 NAPTHYRIDINE COMPOUNDS AS ROCK INHIBITORS GPC BIOTECH AG (DE) 2007-05-31 — — WO disclosed
US-6255318-B1 CYTOMEGLO VIRUS BIOCHEM PHARMA INC. (CA) 2001-07-03 — — 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-20080207677-A1 Napthyridine Compounds As Rock Inhibitors ROCK2, ROCK1, RHOT2 SCN9A 2561/4885SMN1; SMN2 171/4885GLS 1011/4885

“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.

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