Sugi Predict

Sugi Predict / Compounds / SCHEMBL3508448

SCHEMBL3508448

SCHEMBL3508448

COc1nc(Cl)ccc1C(C)(C)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 11/20 0.37
▸ PDCD1LG2 Q9BQ51 10/20 0.37
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PDCD1 Q15116 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ CCR4 P51679 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ RORC P51449 2/20 0.32
▸ TDP2 O95551 1/20 0.32
▸ NSD2 O96028 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
SCHEMBL20719394 0.80 MEN1 (0.36) CD274PDCD1LG2MERTKALDH1A1GAA
SCHEMBL17477901 0.79 CCR4 (0.41) CD274PDCD1LG2CRHBPCRHR2MERTK
SCHEMBL3509045 0.76 MEN1 (0.32) MEN1KMT2A
SCHEMBL16617651 0.76 CYP1A2 (0.40) CD274PDCD1LG2ALDH1A1GAASMN1; SMN2
SCHEMBL30529025 0.75 CHRNB2 (0.32) MEN1KMT2A
SCHEMBL1246834 0.75 CHRNB2 (0.32) MEN1KMT2A
SCHEMBL1433388 0.74 KDM4E (0.36) ALDH1A1
SCHEMBL3509516 0.73 AR (0.33) MEN1KMT2ANSD2
SCHEMBL20360930 0.72 CRHBP (0.41) CD274PDCD1LG2CRHBPCRHR2MERTK
SCHEMBL15633671 0.72 ALDH1A1 (0.33) CD274PDCD1LG2ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 — — US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 — — US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 — — US disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 — — EP disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 — — EP disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 — — US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 — — US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 — — US disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 — — EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 — — WO disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 — — WO 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-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 CD274 192/4885PDCD1LG2 273/4885CRHBP 3936/4885

“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.