SCHEMBL6948812

SCHEMBL6948812

CNCc1nc2cccnc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
CYP2A6 P11509 2/20 0.41
ALDH1A1 P00352 3/20 0.38
DDAH1 O94760 1/20 0.36
AXL P30530 1/20 0.35
NUDT1 P36639 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 3/20 0.34
EPHX2 P34913 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL7002587 0.85 GAA (0.42) PKMALDH1A1DDAH1AXLNUDT1
SCHEMBL4361327 0.82 DDAH1 (0.55) PKMALDH1A1DDAH1AXLNUDT1
SCHEMBL13167384 0.80 HTT (0.48) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL9853629 0.79 KDM4C (0.48) DDAH1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL2972100 0.79 ALDH1A1 (0.38) PKMALDH1A1DDAH1AXLNUDT1
SCHEMBL18291869 0.79 ALDH1A1 (0.38) PKMALDH1A1DDAH1AXLNUDT1
SCHEMBL5264712 0.79 ALDH1A1 (0.38) PKMALDH1A1DDAH1AXLNUDT1
SCHEMBL4347806 0.79 RIPK1 (0.43) ALDH1A1AXLNUDT1NPC1RAB9A
SCHEMBL8288254 0.79 MAPT (0.40) PKMALDH1A1DDAH1AXLNUDT1
SCHEMBL4333658 0.79 ALDH1A1 (0.38) PKMALDH1A1DDAH1AXLNUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946180-A4 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-20020032187-A1 Method for stimulating bone formation SMITHKLINE BEECHAM CORPORATION 2002-03-14 US disclosed
US-5977101-A Benzimidazoles/Imidazoles Linked to a Fibrinogen Receptor Antagonist Template Having Vitronectin Receptor Antagonist Activity SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 US disclosed
EP-0946180-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1999-10-06 EP disclosed
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1998015278-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1998-04-16 WO disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 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-20020032187-A1 Method for stimulating bone formation BMP2, BMP4, SOST PKM 4426/4885CYP2A6 2846/4885ALDH1A1 2599/4885

“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.