SCHEMBL10198708

SCHEMBL10198708

CC(C)c1csc2c(C3=CCNCC3)cnc(N)c12

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.57
MAP3K7 O43318 2/20 0.43
TAB1 Q15750 2/20 0.43
MET P08581 1/20 0.37
ATR Q13535 1/20 0.34
ALK Q9UM73 3/20 0.33
HRH3 Q9Y5N1 1/20 0.32
HTR2C P28335 3/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 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
SCHEMBL6925170 0.87 BTK (0.45) BTKMAP3K7TAB1METHRH3
SCHEMBL10260771 0.84 BTK (0.60) BTKMAP3K7TAB1METATR
SCHEMBL6925932 0.71 BTK (0.54) BTKMETALK
SCHEMBL6927094 0.71 BTK (0.56) BTKMETALK
SCHEMBL6924755 0.70 EPHB4 (0.35) BTKMET
SCHEMBL10198705 0.70 KDR (0.57) BTKMETALK
SCHEMBL6927400 0.70 EIF2AK3 (0.41) BTKMETHTR2C
SCHEMBL21105139 0.68 HTR2C (0.42) MAP3K7TAB1HRH3HTR2C
SCHEMBL6924514 0.68 EPHB4 (0.58) BTK
SCHEMBL16154952 0.64 HTR2C (0.56) HTR2C

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-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 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 (2 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-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R BTK 2336/4885MAP3K7 209/4885TAB1 548/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R BTK 2336/4885MAP3K7 209/4885TAB1 548/4885

“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.