SCHEMBL3609679

SCHEMBL3609679

O=C(O)/C=C/c1cc2cc(Cl)ccc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 2/20 0.42
ICAM1 P05362 2/20 0.42
ITGAL P20701 2/20 0.42
MAPT P10636 2/20 0.42
TBXA2R P21731 1/20 0.42
PTGFR P43088 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
PTGIR P43119 1/20 0.42
PTGDR Q13258 1/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
MDM2 Q00987 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
CYP2A6 P11509 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3609682 1.00 ITGB2 (0.42) ITGB2ICAM1ITGALMAPTTBXA2R
SCHEMBL3622210 0.88 ITGB2 (0.42) ITGB2ICAM1ITGALMAPTTBXA2R
SCHEMBL3622208 0.88 ITGB2 (0.42) ITGB2ICAM1ITGALMAPTTBXA2R
SCHEMBL15214900 0.82 CLK1 (0.35) MAPTLMNACYP2A6KDM4EALDH1A1
SCHEMBL19178968 0.81 CYP2A6 (0.61) MAPTHCAR2MAPK1KMT2ALMNA
SCHEMBL6965431 0.79 MAPT (0.44) MAPTKMT2ACYP2A6KDM4EALDH1A1
SCHEMBL6965434 0.79 MAPT (0.44) MAPTKMT2ACYP2A6KDM4EALDH1A1
SCHEMBL14538167 0.79 CHRNA7 (0.35) MAPTKMT2ALMNACYP2A6KDM4E
SCHEMBL1226095 0.79 CYP2A6 (0.58) TBXA2RPTGFRPTGER3PTGER2PTGDR
SCHEMBL1226099 0.79 CYP2A6 (0.58) TBXA2RPTGFRPTGER3PTGER2PTGDR

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-8518964-B2 Tricyclic compounds useful as inhibitors of kinases MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
US-8518964-B2 Tricyclic compounds useful as inhibitors of kinases MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
US-8518964-B2 Tricyclic compounds useful as inhibitors of kinases MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
EP-1954290-B1 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES MERCK SHARP & DOHME (US) 2012-07-25 EP disclosed
EP-1954290-B1 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES MERCK SHARP & DOHME (US) 2012-07-25 EP disclosed
US-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases MERCK SHARP & DOHME LLC 2010-02-25 US disclosed
US-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases MERCK SHARP & DOHME LLC 2010-02-25 US disclosed
US-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases MERCK SHARP & DOHME LLC 2010-02-25 US disclosed
EP-1954290-A2 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES Merck & Co., Inc. (US) 2008-08-13 EP disclosed
WO-2007061764-A2 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES MERCK & CO., INC. (US) 2007-05-31 WO disclosed
WO-2007061764-A2 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES MERCK & CO., INC. (US) 2007-05-31 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-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases JAK2, JAK3, JAK1 ITGB2 4470/4885ICAM1 2336/4885ITGAL 4747/4885

“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.