SCHEMBL3482939

SCHEMBL3482939

CCn1ncc2c[c]ncc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 1/20 0.32
NOTUM Q6P988 1/20 0.32
HTT P42858 1/20 0.31
HTR1A P08908 2/20 0.30
ADRA2A P08913 2/20 0.30
ADRA2B P18089 2/20 0.30
ADRA2C P18825 2/20 0.30
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 0.30
HTR1D P28221 1/20 0.30
HTR7 P34969 1/20 0.30
HTR4 Q13639 1/20 0.30

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
SCHEMBL3483006 0.85 HASPIN (0.32) HASPINNOTUMHTT
SCHEMBL3483368 0.73 CYP1A2 (0.42) HASPINNOTUMHTTHTR2AHTR2C
SCHEMBL3483239 0.69 CYP19A1 (0.32) HTR2AHTR2C
SCHEMBL188240 0.69 CYP1A2 (0.39) HASPINNOTUMHTTHTR1AADRA2A
SCHEMBL21501930 0.68 HASPIN (0.49) HASPINNOTUMHTR1AADRA2AADRA2B
SCHEMBL20719072 0.68 NOTUM (0.35) HASPINNOTUMHTTHTR2AHTR2C
SCHEMBL13217 0.67 RECQL (0.61) ADRA2A
SCHEMBL20719306 0.67 HTR2A (0.37) HASPINNOTUMHTR2AHTR2C
SCHEMBL16101274 0.66 HTR2A (0.66) NOTUMHTR1AADRA2AADRA2BADRA2C
SCHEMBL19258536 0.64 HASPIN (0.53) HASPINHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006225-B2 Stable pharmaceutical composition ASAHI KASEI PHARMA CORPORATION (JP) 2015-04-14 US disclosed
EP-2236135-A1 STABLE PHARMACEUTICAL COMPOSITION Asahi Kasei Pharma Corporation (JP) 2010-10-06 EP disclosed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-18 US disclosed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R HASPIN 2404/4885NOTUM 1073/4885HTT 4558/4885
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 HASPIN 3340/4885NOTUM 735/4885HTT 4284/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 HASPIN 3340/4885NOTUM 735/4885HTT 4284/4885
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION SLC5A1, SLC5A2, SLC2A9 HASPIN 1442/4885NOTUM 1487/4885HTT 438/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 HASPIN 3340/4885NOTUM 735/4885HTT 4284/4885

“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.