SCHEMBL10131367

SCHEMBL10131367

Bc1ccc2c(C)nn(C(C)=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 1/20 0.47
CDK5 Q00535 1/20 0.47
TYRO3 Q06418 1/20 0.47
ELANE P08246 3/20 0.41
MAP3K14 Q99558 2/20 0.38
KMO O15229 1/20 0.37
IKBKE Q14164 2/20 0.37
IKBKB O14920 1/20 0.37
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
CSNK1A1 P48729 1/20 0.36
GSK3A P49840 1/20 0.36
LIMK1 P53667 1/20 0.36
MAPK14 Q16539 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
CREBBP Q92793 1/20 0.35
SLC22A12 Q96S37 6/20 0.35

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
SCHEMBL8303856 0.81 PDGFRA (0.47) PDGFRACDK5TYRO3ELANEMAP3K14
SCHEMBL10112235 0.81 PDGFRA (0.70) PDGFRACDK5TYRO3ELANEMAP3K14
SCHEMBL726679 0.76 ELANE (0.60) ELANEIKBKEIKBKBNR1H2NR1H3
SCHEMBL14186868 0.74 ADORA2A (0.59) KMO
SCHEMBL733143 0.71 PDGFRA (0.57) PDGFRACDK5TYRO3ELANEMAP3K14
SCHEMBL13516579 0.70 TDP1 (0.46) ELANEMAP3K14SLC22A12ALDH1A1HSD17B10
SCHEMBL176951 0.69 ELANE (0.42) ELANEKMOSLC22A12TAAR1
SCHEMBL3699843 0.68 ELANE (0.41) PDGFRACDK5TYRO3ELANEMAP3K14
SCHEMBL17514107 0.68 ELANE (0.41) ELANEKMOSLC22A12ALDH1A1HSD17B10
SCHEMBL28311685 0.68 SLC22A12 (0.56) ELANEKMOSLC22A12KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 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-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 PDGFRA 2031/4885CDK5 1032/4885TYRO3 3665/4885

“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.