SCHEMBL17026074

SCHEMBL17026074

C#Cc1cc(C)cc(Nc2cc(C3CC3)ccn2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 11/20 0.49
▸ MAP3K12 Q12852 6/20 0.42
▸ MAP4K4 O95819 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ IGF1R P08069 1/20 0.36
▸ LTK P29376 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ MAP2K2 P36507 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ CDK7 P50613 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ MAP2K1 Q02750 1/20 0.36
▸ ACVR1 Q04771 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
SCHEMBL13826649 0.81 SYK (0.47) SYKMAP3K12MAP4K4ABL1LCK
SCHEMBL16963988 0.76 SYK (0.59) SYKMAP3K12
SCHEMBL16965335 0.76 SYK (0.54) SYK
SCHEMBL17037407 0.75 SYK (0.48) SYK
SCHEMBL17037408 0.73 MAP3K12 (0.47) SYKMAP3K12MAP4K4ABL1LCK
SCHEMBL15819661 0.72 SYK (0.53) SYKMAP3K12
SCHEMBL29463883 0.70 MAP3K12 (0.57) MAP3K12MAPK8MAPK9
SCHEMBL18730420 0.70 MAP3K12 (0.57) MAP3K12MAPK8MAPK9
SCHEMBL13738979 0.69 ACVRL1 (0.49) MAP3K12MAPK8TYK2
SCHEMBL29533452 0.69 SRC (0.50) SYKMAP3K12ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 — — US disclosed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 — — US disclosed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 — — US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 — — US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 — — US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 — — 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-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 SYK 1/4885MAP3K12 136/4885MAP4K4 462/4885

“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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