SCHEMBL1476579

SCHEMBL1476579

O=C(N1CCC(c2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.53
DPP4 P27487 1/20 0.44
HSD11B1 P28845 1/20 0.44
FAAH O00519 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
P2RY14 Q15391 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.42
KDM1A O60341 2/20 0.41
MGLL Q99685 1/20 0.41
HTT P42858 1/20 0.41
KCNJ1 P48048 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.40
ESRRG P62508 1/20 0.40

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
SCHEMBL31488955 0.85 NAMPT (0.54) SLC18A3DPP4FAAHALDH1A1MAPT
SCHEMBL853823 0.82 SLC18A3 (0.58) SLC18A3DPP4HSD11B1FAAHALDH1A1
SCHEMBL4184580 0.81 ALDH1A1 (0.58) SLC18A3DPP4HSD11B1FAAHALDH1A1
SCHEMBL5214742 0.81 HSD11B1 (0.67) SLC18A3HSD11B1ALDH1A1MAPTHPGD
SCHEMBL4772773 0.80 HTT (0.61) FAAHALDH1A1MAPTLMNAMGLL
SCHEMBL2452371 0.80 KDM1A (0.48) SLC18A3P2RY14KDM1A
SCHEMBL20705482 0.80 RAB9A (0.50) SLC18A3ALDH1A1MAPTP2RY14LMNA
SCHEMBL8414100 0.80 P2RY14 (0.47) FAAHP2RY14KDM1A
SCHEMBL571141 0.79 KDM1A (0.60) HSD11B1ALDH1A1MAPTHPGDP2RY14
SCHEMBL21526510 0.79 SLC18A3 (0.54) SLC18A3DPP4FAAHALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027124-B1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA NV (BE) 2013-07-03 EP disclosed
EP-2027124-B1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA NV (BE) 2013-07-03 EP disclosed
EP-1802636-B1 PI3 KINASES INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-03-27 EP disclosed
US-8232286-B2 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-31 US disclosed
US-8178530-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-05-15 US disclosed
US-8178530-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-05-15 US disclosed
US-8178530-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-05-15 US disclosed
US-8173656-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-05-08 US disclosed
US-8173656-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-05-08 US disclosed
US-8173656-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-05-08 US disclosed
WO-2007131991-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2007-11-22 WO disclosed
EP-1802636-A1 PI3 KINASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-04 EP disclosed
US-20060106013-A1 PI3-kinases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-18 US disclosed
WO-2006040279-A1 PI3 KINASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-20 WO disclosed
EP-1020434-A1 3-AMIDINOANILINE DERIVATIVES, ACTIVATED BLOOD COAGULATION FACTOR X INHIBITORS, AND INTERMEDIATES FOR PRODUCING BOTH Kissei Pharmaceutical Co., Ltd. (JP) 2000-07-19 EP disclosed
US-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed
WO-1996002514-A1 UREA AND CARBAMIC ACID DERIVATIVES, DRUGS CONTAINING THESE COMPOUNDS, AND PROCESS FOR THEIR PREPARATION DR. KARL THOMAE GMBH (DE) 1996-02-01 WO disclosed
EP-0604800-A1 4- 4- 4-(carboxyalkyl)-phenyl amino carbonyl -phenyl -piperedines as aggregation inhibitors Dr. Karl Thomae GmbH (DE) 1994-07-06 EP disclosed
EP-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 EP 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-20060106013-A1 PI3-kinases PIK3C3, PIK3CB, PIK3CD SLC18A3 3306/4885DPP4 2489/4885HSD11B1 1771/4885

“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.