SCHEMBL6908256

SCHEMBL6908256

O=C(Nc1ccncn1)c1ncc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
EPHX2 P34913 1/20 0.42
ATR Q13535 1/20 0.41
NAMPT P43490 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
P2RX7 Q99572 1/20 0.39
RPS6KA2 Q15349 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
HSPA5 P11021 1/20 0.37
MPL P40238 1/20 0.36
GRM4 Q14833 1/20 0.36

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
SCHEMBL6901417 0.76 NPC1 (0.41) NPC1RAB9AKMT2AHSPA5GRM4
SCHEMBL6903787 0.76 ALOX15 (0.58) NPC1RAB9AKMT2A
SCHEMBL6903802 0.76 NPC1 (0.55) NPC1RAB9AKMT2A
SCHEMBL7349451 0.76 BCAT2 (0.49) NAMPTNPC1RAB9AKMT2AHSPA5
SCHEMBL5822689 0.75 HSPA5 (0.40) NPC1RAB9AKMT2AHSPA5GRM4
SCHEMBL8807003 0.72 CHRNB2 (0.64) CHRNB2CHRNB4CHRNA3CHRNA4NAMPT
SCHEMBL7444006 0.72 RAB9A (0.50) ATRNPC1RAB9AKMT2AJAK2
SCHEMBL5264810 0.72 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL5262945 0.71 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL5630446 0.71 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116418-A1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2004-06-17 US disclosed
US-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB 2002-09-19 US disclosed
US-6376492-B1 GUANIDINE DERIVATIVES MEDIVIR AB (SE) 2002-04-23 US disclosed
US-5849769-A N-arylalkyl-N-heteroarylurea and guandine compounds and methods of treating HIV infection MEDIVIR AB (SE) 1998-12-15 US disclosed
EP-0706514-B1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1998-11-18 EP disclosed
EP-0706514-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1996-04-17 EP disclosed
WO-1995006034-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1995-03-02 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-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses POLRMT, POLM, POLR1E CHRNB2 4849/4885CHRNB4 4797/4885CHRNA3 4684/4885

“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.