SCHEMBL2489977

SCHEMBL2489977

Nc1cc(-c2nccs2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.52
LOXL2 Q9Y4K0 1/20 0.50
HSP90AA1 P07900 1/20 0.49
CYP2A6 P11509 1/20 0.46
DYRK1A Q13627 3/20 0.43
HDAC2 Q92769 2/20 0.43
ADRB2 P07550 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
NOS1 P29475 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHEK2 O96017 1/20 0.41
SMPD3 Q9NY59 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
KMT2A Q03164 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
SCHEMBL22051445 0.77 PDPK1 (0.52) PDPK1LOXL2HSP90AA1CYP2A6HDAC2
SCHEMBL17275696 0.77 TLR8 (0.58) PDPK1LOXL2HSP90AA1CYP2A6DYRK1A
SCHEMBL15668618 0.77 PDPK1 (0.52) PDPK1LOXL2HSP90AA1CYP2A6ADRB2
SCHEMBL1068648 0.77 LOXL2 (0.55) PDPK1LOXL2HSP90AA1CYP2A6HDAC2
SCHEMBL11013274 0.77 PDPK1 (0.52) PDPK1LOXL2HSP90AA1CYP2A6HDAC2
SCHEMBL4402187 0.76 DYRK1A (0.63) PDPK1DYRK1AMKNK1MKNK2NOS1
SCHEMBL30935767 0.76 DYRK1A (0.63) PDPK1DYRK1AMKNK1MKNK2NOS1
SCHEMBL30469264 0.76 PDPK1 (0.60) PDPK1LOXL2HSP90AA1CYP2A6HDAC2
SCHEMBL2315490 0.76 PDPK1 (0.60) PDPK1LOXL2HSP90AA1CYP2A6HDAC2
SCHEMBL15805858 0.75 PDPK1 (0.72) PDPK1LOXL2HSP90AA1CYP2A6HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109415358-B 6-aminopyridin-3-ylthiazoles as ROR gamma t modulators 詹森药业有限公司 2022-04-05 CN disclosed
EP-3448856-B1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF ROR GAMMA T JANSSEN PHARMACEUTICA NV (BE) 2022-01-05 EP disclosed
US-20210221804-A1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT JANSSEN PHARMACEUTICA NV (BE) 2021-07-22 US disclosed
US-20210198251-A1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT JANSSEN PHARMACEUTICA NV (BE) 2021-07-01 US disclosed
US-20210188836-A1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT JANSSEN PHARMACEUTICA NV (BE) 2021-06-24 US disclosed
US-10975068-B2 6-aminopyridin-3-yl thiazoles as modulators of RORγT JANSSEN PHARMACEUTICA NV (BE) 2021-04-13 US disclosed
US-20170313691-A1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT JANSSEN PHARMACEUTICA NV (BE) 2017-11-02 US disclosed
WO-2017189661-A1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORγT JANSSEN PHARMACEUTICA NV (BE) 2017-11-02 WO disclosed
US-9198426-B2 Use of 5 pyridin-4-yl-1,3-thiazoles for controlling phytopathogenic fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 US disclosed
EP-2378880-A1 USE OF 5-PYRIDIN-4YL(1,3)THIAZOLE FOR TREATING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2011-10-26 EP disclosed
US-20100168185-A1 Use of 5-pyridin-4-yl-1,3-thiazoles for controlling phytopathogenic fungi BAYER CORPSCIENCE AG (DE) 2010-07-01 US disclosed
WO-2010069494-A1 USE OF 5-PYRIDIN-4YL(1,3)THIAZOLE FOR TREATING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-06-24 WO 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 (6 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-20100168185-A1 Use of 5-pyridin-4-yl-1,3-thiazoles for controlling phytopathogenic fungi PIR, PNPO, PDXK PDPK1 571/4885LOXL2 870/4885HSP90AA1 3319/4885
US-20210188836-A1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT RORC, RORA, RORB PDPK1 2419/4885LOXL2 3844/4885HSP90AA1 1500/4885
US-10975068-B2 6-aminopyridin-3-yl thiazoles as modulators of RORγT RORC, RORA, RORB PDPK1 2428/4885LOXL2 4085/4885HSP90AA1 1142/4885
US-20170313691-A1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT RORC, RORA, RORB PDPK1 2419/4885LOXL2 3844/4885HSP90AA1 1500/4885
US-20210221804-A1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT RORC, RORA, RORB PDPK1 2419/4885LOXL2 3844/4885HSP90AA1 1500/4885
US-20210198251-A1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT RORC, RORA, RORB PDPK1 2419/4885LOXL2 3844/4885HSP90AA1 1500/4885

“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.