SCHEMBL6948805

SCHEMBL6948805

CNCc1nc2ncccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.57
▸ NUDT1 P36639 1/20 0.50
▸ CYP2C9 P11712 1/20 0.49
▸ NOS1 P29475 1/20 0.49
▸ NOS2 P35228 1/20 0.49
▸ METAP1 P53582 2/20 0.45
▸ METAP2 P50579 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HPGD P15428 2/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ PDE5A O76074 6/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ AURKA O14965 4/20 0.43
▸ TP53 P04637 1/20 0.43
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42

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
SCHEMBL7002580 0.84 NUDT1 (0.58) NUDT1CYP2C9NOS1NOS2METAP1
SCHEMBL13970740 0.84 NUDT1 (0.47) NUDT1CYP2C9NOS1NOS2METAP1
SCHEMBL13950536 0.84 NUDT1 (0.47) PKMNUDT1CYP2C9NOS1NOS2
SCHEMBL2314765 0.81 DDAH1 (0.55) NUDT1CYP2C9NOS1NOS2METAP1
SCHEMBL14355651 0.80 KMT2A (0.49) PKMNUDT1CYP2C9NOS1NOS2
SCHEMBL3960231 0.78 CYP2C9 (0.57) NUDT1CYP2C9NOS1NOS2METAP1
SCHEMBL3967813 0.77 NUDT1 (0.55) NUDT1CYP2C9NOS1NOS2METAP1
SCHEMBL4347800 0.77 NUDT1 (0.55) NUDT1CYP2C9NOS1NOS2METAP1
SCHEMBL6216010 0.77 NUDT1 (0.55) NUDT1CYP2C9NOS1NOS2METAP1
SCHEMBL31587712 0.77 NUDT1 (0.55) NUDT1CYP2C9NOS1NOS2METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809338-B2 1,2,3-triazole-based peptidomimetic integrin inhibitors for the diagnosis and therapy of tumors UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2014-08-19 — — US disclosed
US-20130040964-A1 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2013-02-14 — — US disclosed
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 (2 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-20130040964-A1 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS ICAM1, ITGB3, VCAM1 PKM 3107/4885NUDT1 2156/4885CYP2C9 1927/4885
US-20020032187-A1 Method for stimulating bone formation BMP2, BMP4, SOST PKM 4426/4885NUDT1 943/4885CYP2C9 4808/4885

“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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