SCHEMBL10003024

SCHEMBL10003024

Cc1cccc2c1cc(C(=O)CC#N)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ HTR1D P28221 1/20 0.47
▸ HTR1B P28222 1/20 0.47
▸ HTR1F P30939 1/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ NOD2 Q9HC29 4/20 0.42
▸ NOD1 Q9Y239 4/20 0.42
▸ PTGDR Q13258 2/20 0.41
▸ PTGDR2 Q9Y5Y4 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ AGTR1 P30556 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HK1 P19367 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HKDC1 Q2TB90 1/20 0.40
▸ MTNR1B P49286 1/20 0.39

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
SCHEMBL10003816 0.86 HTR6 (0.44) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL10003844 0.86 HTR6 (0.44) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL10003339 0.86 HTR6 (0.45) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL10002763 0.84 ALDH1A1 (0.55) NOD2NOD1ALDH1A1LMNAMAPT
SCHEMBL20742950 0.83 CCR2 (0.51) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL31578980 0.83 CCR2 (0.51) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL10002894 0.82 HTR6 (0.42) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL10003682 0.81 NOD2 (0.44) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL20742978 0.81 HTR6 (0.49) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL31579035 0.81 HTR6 (0.52) HTR6HTR1ADRD2HTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471786-B1 AMINOPYRAZOLE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-11-04 — — EP disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 — — US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 — — US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 — — US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 — — US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 — — US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
EP-2471786-A1 AMINOPYRAZOLE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-07-04 — — 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 (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-20120208811-A1 Aminopyrazole Derivative FGFR1, FGFR3, FGFR4 HTR6 2507/4885HTR1A 2906/4885DRD2 3382/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 HTR6 1210/4885HTR1A 1871/4885DRD2 1863/4885

“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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