SCHEMBL2202069

SCHEMBL2202069

c1csc(-c2ccn3nccc3n2)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.49
RAB9A P51151 1/20 0.47
HSP90AA1 P07900 1/20 0.46
SCN5A Q14524 1/20 0.43
TGFBR1 P36897 3/20 0.43
PDPK1 O15530 1/20 0.41
SYK P43405 6/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
SRC P12931 2/20 0.37
ZAP70 P43403 2/20 0.37
CDK2 P24941 1/20 0.37
PIK3CD O00329 1/20 0.37
CYP2A6 P11509 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36
KDR P35968 1/20 0.36
METAP1 P53582 1/20 0.36

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
SCHEMBL20186115 0.75 DYRK1A (0.54) DYRK1ARAB9ASCN5ATGFBR1CYP1A2
SCHEMBL4902877 0.73 RAB9A (0.61) RAB9AHSP90AA1PDPK1SYKCYP1A1
SCHEMBL3162678 0.70 DYRK1A (0.65) DYRK1ARAB9AHSP90AA1SCN5ATGFBR1
SCHEMBL3781186 0.70 RAB9A (0.51) DYRK1ARAB9APDPK1
SCHEMBL3498318 0.69 DYRK1A (0.63) DYRK1ARAB9ASCN5ATGFBR1CYP1A2
SCHEMBL1440869 0.69 DYRK1A (0.49) DYRK1ASCN5ATGFBR1PIK3CD
SCHEMBL10376702 0.69 HSP90AA1 (0.47) RAB9AHSP90AA1PDPK1SYKCYP1A1
SCHEMBL30603240 0.69 DYRK1A (0.50) DYRK1ARAB9ASCN5ATGFBR1PIK3CD
SCHEMBL20202141 0.69 DYRK1A (0.54) DYRK1ASCN5ATGFBR1PIK3CD
SCHEMBL26516074 0.69 TGFBR1 (0.50) DYRK1ARAB9ASCN5ATGFBR1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563718-B2 Thiazolyl-pyrazolopyrimidine compounds as synthetic intermediates and related synthetic processes ELI LILLY AND COMPANY (US) 2013-10-22 US disclosed
EP-2350079-B1 THIAZOLYL-PYRAZOLOPYRIMIDINE COMPOUNDS AS SYNTHETIC INTERMEDIATES AND RELATED SYNTHETIC PROCESSES LILLY CO ELI (US) 2012-11-14 EP disclosed
US-20110166345-A1 THIAZOLYL-PYRAZOLOPYRIMIDINE COMPOUNDS AS SYNTHETIC INTERMEDIATES AND RELATED SYNTHETIC PROCESSES ELI LILLY AND COMPANY (US) 2011-07-07 US 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 (1 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-20110166345-A1 THIAZOLYL-PYRAZOLOPYRIMIDINE COMPOUNDS AS SYNTHETIC INTERMEDIATES AND RELATED SYNTHETIC PROCESSES FDPS, DHFR, TPMT DYRK1A 2796/4885RAB9A 2908/4885HSP90AA1 4125/4885

“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.