SCHEMBL19086828

SCHEMBL19086828

Fc1ccc(NC2CCN(Cc3ccccc3)CC2)nc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.59
KDM4E B2RXH2 1/20 0.59
GAA P10253 1/20 0.59
HRH3 Q9Y5N1 1/20 0.58
BACE1 P56817 5/20 0.57
BCHE P06276 4/20 0.57
SIGMAR1 Q99720 6/20 0.56
SLC6A12 P48065 1/20 0.56
TMEM97 Q5BJF2 1/20 0.56
MCHR1 Q99705 1/20 0.56
PRKAA2 P54646 1/20 0.55
SSTR5 P35346 1/20 0.55
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL4687045 0.85 ACHE (0.59) ACHEKDM4EGAAHRH3BACE1
SCHEMBL3328074 0.84 ACHE (0.60) ACHEKDM4EGAAHRH3BACE1
SCHEMBL4218644 0.84 ACHE (0.58) ACHEKDM4EGAAHRH3BACE1
SCHEMBL19492792 0.83 ACHE (0.58) ACHEKDM4EGAAHRH3BACE1
SCHEMBL4227761 0.82 ACHE (0.57) ACHEKDM4EGAAHRH3BACE1
SCHEMBL3359734 0.81 DRD2 (0.71) ACHEKDM4EGAAHRH3BACE1
SCHEMBL16990442 0.80 TDO2 (0.77) ACHE
SCHEMBL3997031 0.80 ACHE (0.68) ACHEKDM4EGAABACE1BCHE
SCHEMBL19463085 0.79 ACHE (0.57) ACHEKDM4EGAABACE1BCHE
SCHEMBL4223535 0.79 SIGMAR1 (0.61) ACHEHRH3SIGMAR1PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3190116-B1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME NIPPON SHINYAKU CO LTD (JP) 2020-08-05 EP disclosed
US-9999622-B2 Pyrazolothiazole compound and medicine comprising same NIPPON SHINYAKU CO., LTD. (JP) 2018-06-19 US disclosed
US-9937176-B2 Pyrazolothiazole compound and medicine comprising same NIPPON SHINYAKU CO., LTD. (JP) 2018-04-10 US disclosed
US-20180092919-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME NIPPON SHINYAKU CO., LTD. (JP) 2018-04-05 US disclosed
US-20170252341-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME NIPPON SHINYAKU CO., LTD. (JP) 2017-09-07 US disclosed
EP-3190116-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2017-07-12 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-20180092919-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME JAK1, JAK2, JAK3 ACHE 4856/4885KDM4E 2848/4885GAA 3808/4885
US-20170252341-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME JAK1, JAK2, JAK3 ACHE 4856/4885KDM4E 2848/4885GAA 3808/4885

“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.