SCHEMBL19086771

SCHEMBL19086771

Fc1cccnc1NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
GAA P10253 1/20 0.67
ACHE P22303 6/20 0.56
HRH3 Q9Y5N1 1/20 0.56
HTT P42858 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 3/20 0.54
MAPT P10636 3/20 0.54
KMT2A Q03164 2/20 0.54
NTSR1 P30989 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
SIGMAR1 Q99720 3/20 0.53
SSTR5 P35346 1/20 0.53
BACE1 P56817 3/20 0.53
GBA1 P04062 1/20 0.53
POLB P06746 1/20 0.53
BCHE P06276 2/20 0.52
RAB9A P51151 2/20 0.52
RXFP1 Q9HBX9 2/20 0.52

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
SCHEMBL16007611 0.87 KDM4E (0.56) KDM4EGAAACHEHRH3HTT
SCHEMBL6160260 0.86 HRH3 (0.61) KDM4EGAAACHEHRH3HTT
SCHEMBL16007609 0.85 KDM4E (0.54) KDM4EGAAACHEHRH3HTT
SCHEMBL13003294 0.84 HRH3 (0.56) KDM4EGAAACHEHRH3HTT
SCHEMBL3138352 0.83 ACHE (0.59) KDM4EGAAACHEHRH3HTT
SCHEMBL16007213 0.83 SIGMAR1 (0.57) KDM4EGAAACHEHRH3HTT
SCHEMBL13003296 0.83 ACHE (0.71) KDM4EGAAACHEHRH3HTT
SCHEMBL5432812 0.82 ACHE (0.69) KDM4EGAAACHEHRH3SIGMAR1
SCHEMBL16007613 0.82 SIGMAR1 (0.56) KDM4EGAAACHEHRH3HTT
SCHEMBL6166008 0.81 MAPK1 (0.69) KDM4EGAAACHEHRH3HTT

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 KDM4E 2848/4885GAA 3808/4885ACHE 4856/4885
US-20170252341-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME JAK1, JAK2, JAK3 KDM4E 2848/4885GAA 3808/4885ACHE 4856/4885

“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.