Sugi Predict

Sugi Predict / Compounds / SCHEMBL514592

SCHEMBL514592

SCHEMBL514592

CC(O)c1ccnc(N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 5/20 0.48
▸ NOS2 P35228 4/20 0.48
▸ NOS1 P29475 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ CBLB Q13191 1/20 0.45
▸ PLG P00747 1/20 0.44
▸ PLAU P00749 1/20 0.44
▸ GABRP O00591 2/20 0.42
▸ GABRD O14764 2/20 0.42
▸ GABRA1 P14867 2/20 0.42
▸ GABRB1 P18505 2/20 0.42
▸ GABRG2 P18507 2/20 0.42
▸ GABRB3 P28472 2/20 0.42
▸ GABRA5 P31644 2/20 0.42
▸ GABRA3 P34903 2/20 0.42
▸ GABRA2 P47869 2/20 0.42
▸ GABRB2 P47870 2/20 0.42
▸ GABRA4 P48169 2/20 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
SCHEMBL84401 0.83 NOS3 (0.52) NOS3NOS2NOS1KDM4EKMT2A
SCHEMBL24860609 0.83 NOS3 (0.46) NOS3NOS2NOS1KDM4EKMT2A
SCHEMBL4322612 0.81 NOS3 (0.50) NOS3NOS2NOS1KDM4EKMT2A
SCHEMBL19077800 0.79 NOS3 (0.48) NOS3NOS2NOS1KDM4EKMT2A
SCHEMBL22838450 0.79 NOS3 (0.48) NOS3NOS2NOS1KDM4EKMT2A
SCHEMBL12204679 0.79 NOS3 (0.48) NOS3NOS2NOS1KDM4EKMT2A
Hydrochloric Acid SCHEMBL30953518 0.79 NOS3 (0.48) NOS3NOS2NOS1KDM4EKMT2A
SCHEMBL13391128 0.79 NOS3 (0.48) NOS3NOS2NOS1KDM4EKMT2A
SCHEMBL318126 0.79 NOS3 (0.48) NOS3NOS2NOS1KDM4EKMT2A
SCHEMBL30101542 0.78 NOS3 (0.47) NOS3NOS2NOS1KDM4EKMT2A

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 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973886-B1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-02-27 — — EP claimed
US-8372973-B2 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-12 — — US claimed
US-20120028997-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2012-02-02 — — US claimed
US-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA, NV (BE) 2011-12-29 — — US claimed
EP-2385042-A1 Prokineticin 1 receptor antagonists Janssen Pharmaceutica N.V. (BE) 2011-11-09 — — EP claimed
US-8039028-B2 Use of an extract of the orchid Vanda coerulea as a skin hydrating agent LVMH REACHERCHE (FR) 2011-10-18 — — US claimed
US-20080287445-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 — — US claimed
US-20080269225-A1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 — — US claimed
EP-1976528-A2 PROKINETICIN 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-08 — — EP claimed
EP-1973886-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-01 — — EP claimed
WO-2007079214-A2 PROKINETICIN 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 — — WO claimed
WO-2007079163-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 — — WO claimed
WO-2024076155-A1 NOVEL COMPOUND AS YEATS DOMAIN INHIBITOR 노보렉스 주식회사 2024-04-11 — — WO disclosed
EP-2509595-B1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION RESPIVERT LTD (GB) 2018-04-11 — — EP disclosed
US-20180000830-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P-59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION RESPIVERT LIMITED (GB) 2018-01-04 — — US disclosed
US-20180000830-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P-59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION RESPIVERT LIMITED (GB) 2018-01-04 — — US disclosed
EP-1976528-A2 PROKINETICIN 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-08 — — EP disclosed
EP-1973886-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-01 — — EP disclosed
WO-2007079214-A2 PROKINETICIN 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 — — WO disclosed
WO-2007079163-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 — — 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 (5 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-20120028997-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR NOS3 3992/4885NOS2 4153/4885NOS1 2927/4885
US-20180000830-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P-59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION HCK, CDK9, PHKG1 NOS3 3866/4885NOS2 3320/4885NOS1 3626/4885
US-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN PROKR1, OPRL1, PROKR2 NOS3 2755/4885NOS2 2992/4885NOS1 1382/4885
US-20080269225-A1 Prokineticin 1 receptor antagonists PROKR1, PROKR2, GIPR NOS3 3992/4885NOS2 4153/4885NOS1 2927/4885
US-20080287445-A1 Prokineticin 2 receptor antagonists PROKR2, PROKR1, GIPR NOS3 4317/4885NOS2 3606/4885NOS1 4347/4885

“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.