SCHEMBL868258

SCHEMBL868258

CC1(C)OB(c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)OC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 11/20 0.51
NTRK1 P04629 1/20 0.51
CYP1A2 P05177 1/20 0.51
LCK P06239 1/20 0.51
YES1 P07947 1/20 0.51
RET P07949 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C8 P10632 1/20 0.51
CYP2D6 P10635 1/20 0.51
KIT P10721 1/20 0.51
CYP2C9 P11712 1/20 0.51
EIF2AK2 P19525 1/20 0.51
AXL P30530 1/20 0.51
CYP2C19 P33261 1/20 0.51
NEK4 P51957 1/20 0.51
MAP3K9 P80192 1/20 0.51
MAP3K10 Q02779 1/20 0.51
MERTK Q12866 1/20 0.51
PTK6 Q13882 1/20 0.51
IKBKE Q14164 1/20 0.51

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
SCHEMBL870385 0.87 RIPK1 (0.48) RIPK1EIF2AK3MEN1KMT2ANOTUM
SCHEMBL24491357 0.86 RIPK1 (0.61) RIPK1NTRK1LCKYES1RET
SCHEMBL30876862 0.86 RIPK1 (0.61) RIPK1NTRK1LCKYES1RET
SCHEMBL30301910 0.86 ALDH1A1 (0.57) LCKEIF2AK2AURKBEIF2AK1EIF2AK3
SCHEMBL19098411 0.86 ALDH1A1 (0.57) LCKEIF2AK2AURKBEIF2AK1EIF2AK3
SCHEMBL869066 0.79 RIPK1 (0.55) RIPK1NTRK1CYP1A2LCKYES1
SCHEMBL29995958 0.79 CYP11B1 (0.51) ALDH1A1LMNAMAPTCYP11B1CYP11B2
SCHEMBL23063812 0.79 CYP11B1 (0.51) ALDH1A1LMNAMAPTCYP11B1CYP11B2
SCHEMBL2084507 0.78 CA12 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19NOTUM
SCHEMBL868522 0.76 ROCK1 (0.50) CYP3A4EIF2AK3MEN1KMT2ANOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP disclosed
US-8598156-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-12-03 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 RIPK1 218/4885NTRK1 2297/4885CYP1A2 1446/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R RIPK1 218/4885NTRK1 2297/4885CYP1A2 1446/4885

“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.