SCHEMBL4036017

SCHEMBL4036017

[CH2]CCNc1ccnn1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.38
AVPR1A P37288 2/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
LRRK2 Q5S007 1/20 0.35
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
COMT P21964 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
KDM4C Q9H3R0 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
SCHEMBL4032778 0.84
SCHEMBL22957177 0.81 OXTR (0.38) OXTRAVPR1ARAB9AKMT2APOLB
SCHEMBL27625405 0.79 CYP1A2 (0.44) OXTRAVPR1ARAB9AKMT2AL3MBTL1
SCHEMBL9601697 0.78 OXTR (0.40) OXTRAVPR1ARAB9AKMT2APOLB
SCHEMBL6413770 0.78
SCHEMBL26091092 0.75 POLB (0.47) OXTRAVPR1ARAB9AKMT2APOLB
SCHEMBL12763786 0.73 POLB (0.38) OXTRAVPR1ARAB9AKMT2APOLB
SCHEMBL19281353 0.73 OXTR (0.38) OXTRAVPR1ARAB9AKMT2APOLB
SCHEMBL28701114 0.72 CYP3A4 (0.48) KMT2AL3MBTL1
SCHEMBL14937937 0.70 KCNN1 (0.50) RAB9AKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2033962-A1 Tetracyclic indolopyridines as EG5 inhibitors 4SC AG (DE) 2009-03-11 EP claimed
US-10000449-B2 Bisarylsulfonamides useful in the treatment of inflammation and cancer KANCERA AB (SE) 2018-06-19 US disclosed
EP-2794009-B1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2017-08-30 EP disclosed
US-9718809-B2 Bisarylsulfonamides useful in the treatment of inflammation and cancer KANCERA AB (SE) 2017-08-01 US disclosed
US-20160221938-A1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2016-08-04 US disclosed
US-20150025068-A1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2015-01-22 US disclosed
EP-2794009-A1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER Kancera AB (SE) 2014-10-29 EP disclosed
WO-2013093095-A1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2013-06-27 WO disclosed
EP-2033962-A1 Tetracyclic indolopyridines as EG5 inhibitors 4SC AG (DE) 2009-03-11 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 (3 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-20150025068-A1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER NFKBIA, IL6, LITAF OXTR 4148/4885AVPR1A 3882/4885RAB9A 1664/4885
US-20160221938-A1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER NFKBIA, IL6, LITAF OXTR 4145/4885AVPR1A 3921/4885RAB9A 1800/4885
US-10000449-B2 Bisarylsulfonamides useful in the treatment of inflammation and cancer NFKBIA, IL6, LITAF OXTR 4145/4885AVPR1A 3921/4885RAB9A 1800/4885

“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.