SCHEMBL15980622

SCHEMBL15980622

Cc1cc(C(N)=O)cc(C(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ PARP1 P09874 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ IKBKB O14920 2/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.34
▸ CHUK O15111 1/20 0.34
▸ PRKACA P17612 1/20 0.34
▸ PRKACG P22612 1/20 0.34
▸ PRKACB P22694 1/20 0.34
▸ LIMK1 P53667 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33

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
SCHEMBL1425710 0.83 TPMT (0.43) NOS3NOS1NOS2LMNAKDM4E
SCHEMBL20888500 0.83 NPC1 (0.41) NOS3NOS1NOS2HTTLMNA
SCHEMBL1179736 0.82 POLB (0.50) POLBHTTPARP1LMNAKDM4E
SCHEMBL19546001 0.79 HTT (0.37) NOS3NOS1NOS2HTTLMNA
SCHEMBL18489346 0.79 KDM4E (0.49) POLBLMNAKDM4EMAPK1
SCHEMBL19531793 0.79 TLR8 (0.44) NOS3NOS1NOS2HTTLMNA
SCHEMBL19531810 0.79 TLR8 (0.44) POLBBRD4CDK8
SCHEMBL19321639 0.77 ALDH1A1 (0.47) POLBHTTPARP1LMNAKDM4E
SCHEMBL1179268 0.76 CA12 (0.50) POLBLMNAKDM4ECYP1A2
SCHEMBL19641722 0.75 LMNA (0.47) POLBHTTPARP1LMNAIKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216173-B2 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-22 — — US disclosed
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 — — 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-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors SYK, BTK, LCK POLB 3781/4885NOS3 1005/4885NOS1 981/4885

“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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