SCHEMBL19086792

SCHEMBL19086792

Fc1cccnc1NC1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.50
ALDH1A1 P00352 2/20 0.50
USP2 O75604 1/20 0.50
ALOX15 P16050 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
BRD4 O60885 2/20 0.46
ATAD2 Q6PL18 2/20 0.46
HTR1A P08908 5/20 0.46
SLC6A2 P23975 5/20 0.46
SLC6A4 P31645 5/20 0.46
MAPK1 P28482 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
CYP3A4 P08684 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
CYP2D6 P10635 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM1A O60341 1/20 0.43
PTPN11 Q06124 1/20 0.41

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
SCHEMBL1035615 0.90 BRD4 (0.48) CYP1A2ALDH1A1USP2ALOX15HIF1A
SCHEMBL1035617 0.90 BRD4 (0.48) CYP1A2ALDH1A1USP2ALOX15HIF1A
SCHEMBL26349385 0.82 HRH3 (0.51) CYP1A2ALDH1A1USP2ALOX15HIF1A
SCHEMBL30608213 0.82 CYP1A2 (0.50) CYP1A2ALDH1A1USP2ALOX15HIF1A
SCHEMBL30608214 0.82 CYP1A2 (0.50) CYP1A2ALDH1A1USP2ALOX15HIF1A
SCHEMBL29102565 0.82 CYP1A2 (0.50) CYP1A2ALDH1A1USP2ALOX15HIF1A
SCHEMBL30698332 0.81 BRD4 (0.50) BRD4PTPN11AURKARPS6KB1
SCHEMBL1034425 0.78 CYP1A2 (0.46) CYP1A2ALDH1A1USP2ALOX15HIF1A
SCHEMBL12124647 0.76 MAPT (0.45) CYP1A2ALDH1A1USP2ALOX15HIF1A
Hydrochloric Acid SCHEMBL15204558 0.75 MAPT (0.44) CYP1A2ALDH1A1USP2ALOX15HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3287441-B1 ACYLATED 4-AMINOPIPERIDINES AS INHIBITORS OF SERINE PALMITOYLTRANSFERASE TAKEDA PHARMACEUTICALS CO (JP) 2021-06-09 EP disclosed
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 CYP1A2 1373/4885ALDH1A1 1360/4885USP2 3749/4885
US-20170252341-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME JAK1, JAK2, JAK3 CYP1A2 1373/4885ALDH1A1 1360/4885USP2 3749/4885

“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.