SCHEMBL6637577

SCHEMBL6637577

CCCCNC(=O)Nc1ccc2cnccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53
EPHX2 P34913 1/20 0.52
ATM Q13315 1/20 0.50
ROCK2 O75116 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
PIK3CA P42336 4/20 0.43
MAPK1 P28482 3/20 0.43
MAPK8 P45983 3/20 0.43
MAPK9 P45984 3/20 0.43
MAPK10 P53779 3/20 0.43
NAMPT P43490 1/20 0.43
CDK2 P24941 1/20 0.43
FLT4 P35916 1/20 0.43

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
SCHEMBL6668433 0.86 FLT4 (0.45) NPC1RAB9ASMN1; SMN2HTTEPHX2
Hydrochloric Acid SCHEMBL6642515 0.85 FLT4 (0.44) NPC1RAB9ASMN1; SMN2HTTEPHX2
SCHEMBL6640114 0.83 CYP3A4 (0.47) NPC1RAB9AROCK2PIK3CAMAPK1
SCHEMBL11069532 0.75 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2HTTEPHX2
SCHEMBL21070179 0.74 ROCK2 (0.58) NPC1RAB9ASMN1; SMN2ROCK2
SCHEMBL20280535 0.74 ROCK2 (0.49) NPC1RAB9ASMN1; SMN2HTTROCK2
SCHEMBL23110235 0.74 ROCK2 (0.45) NPC1ROCK2PIK3CAMAPK1MAPK8
SCHEMBL6637106 0.74 KMT2A (0.68) NPC1SMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL11697848 0.73 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2HTTEPHX2
SCHEMBL6639749 0.73 ROCK2 (0.55) HTTROCK2ALDH1A1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984967-B1 NAPHTHYRIDINE DERIVATIVES AND THEIR ANALOGUES INHIBITING CYTOMEGALOVIRUS IAF BIOCHEM INT (CA) 2004-02-25 EP claimed
EP-1037633-B1 ANTIVIRAL COMPOUNDS IAF BIOCHEM INT (CA) 2003-09-10 EP claimed
US-20010031765-A1 Antiviral compounds BIOCHEM PHARMA INC. 2001-10-18 US claimed
US-6255318-B1 CYTOMEGLO VIRUS BIOCHEM PHARMA INC. (CA) 2001-07-03 US claimed
EP-1037633-A1 ANTIVIRAL COMPOUNDS BIOCHEM PHARMA INC (CA) 2000-09-27 EP claimed
WO-1999029318-A1 ANTIVIRAL COMPOUNDS BIOCHEM PHARMA INC. (CA) 1999-06-17 WO claimed
EP-0984967-B1 NAPHTHYRIDINE DERIVATIVES AND THEIR ANALOGUES INHIBITING CYTOMEGALOVIRUS IAF BIOCHEM INT (CA) 2004-02-25 EP disclosed
EP-1037633-B1 ANTIVIRAL COMPOUNDS IAF BIOCHEM INT (CA) 2003-09-10 EP disclosed
US-6534520-B2 Antiviral compounds BIOCHEM PHARMA INC. (CA) 2003-03-18 US disclosed
US-20010031765-A1 Antiviral compounds BIOCHEM PHARMA INC. 2001-10-18 US disclosed
US-6255318-B1 CYTOMEGLO VIRUS BIOCHEM PHARMA INC. (CA) 2001-07-03 US disclosed
EP-1037633-A1 ANTIVIRAL COMPOUNDS BIOCHEM PHARMA INC (CA) 2000-09-27 EP disclosed
EP-0984967-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR ANALOGUES INHIBITING CYTOMEGALOVIRUS BIOCHEM PHARMA INC (CA) 2000-03-15 EP disclosed
US-5945431-A VIRICIDE BIOCHEM THERAPEUTICS INCORPORATED (CA) 1999-08-31 US disclosed
WO-1999029318-A1 ANTIVIRAL COMPOUNDS BIOCHEM PHARMA INC. (CA) 1999-06-17 WO disclosed
WO-1997034894-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR ANALOGUES INHIBITING CYTOMEGALOVIRUS BIOCHEM PHARMA INC. (CA) 1997-09-25 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-20010031765-A1 Antiviral compounds ZC3HAV1, IFNAR1, EIF2AK2 NPC1 1407/4885RAB9A 926/4885SMN1; SMN2 2341/4885

“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.