SCHEMBL2202066

SCHEMBL2202066

c1cnc2cc(-c3nccs3)nn2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APOBEC3A P31941 1/20 0.47
▸ APOBEC3G Q9HC16 1/20 0.47
▸ PDPK1 O15530 1/20 0.41
▸ KDR P35968 1/20 0.39
▸ RAB9A P51151 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.36
▸ DYRK1A Q13627 1/20 0.35
▸ SMPD3 Q9NY59 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ SYK P43405 4/20 0.33
▸ METAP1 P53582 1/20 0.33
▸ STIM1 Q13586 1/20 0.32
▸ ORAI1 Q96D31 1/20 0.32
▸ CYP1A1 P04798 3/20 0.32
▸ CYP1A2 P05177 3/20 0.32
▸ CYP1B1 Q16678 3/20 0.32
▸ SRC P12931 2/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ ZAP70 P43403 1/20 0.32

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
SCHEMBL30708692 0.80 APOBEC3A (0.61) APOBEC3AAPOBEC3GKDRRAB9ADYRK1A
SCHEMBL3788143 0.76 PDPK1 (0.47) PDPK1KDRRAB9AHSP90AA1CYP2A6
SCHEMBL2748696 0.76 APOBEC3A (0.46) APOBEC3AAPOBEC3GDYRK1ACYP1A2
SCHEMBL30118007 0.75 APOBEC3A (0.56) APOBEC3AAPOBEC3GKDRRAB9ADYRK1A
SCHEMBL16265168 0.75 DYRK1A (0.54) PDPK1KDRRAB9AHSP90AA1DYRK1A
SCHEMBL1665644 0.74 APOBEC3A (0.54) APOBEC3AAPOBEC3GKDRRAB9ADYRK1A
SCHEMBL29846190 0.74 PDPK1 (0.41) PDPK1KDRRAB9AHSP90AA1SMPD3
SCHEMBL30798766 0.71 APOBEC3A (0.51) APOBEC3AAPOBEC3GKDRRAB9AHSP90AA1
SCHEMBL1015835 0.71 DYRK1A (0.62) APOBEC3AAPOBEC3GKDRRAB9ADYRK1A
Hydrochloric Acid SCHEMBL25276515 0.70 DYRK1A (0.60) APOBEC3AAPOBEC3GKDRRAB9ADYRK1A

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 APOBEC3A 3613/4885APOBEC3G 3865/4885PDPK1 813/4885

“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.

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