SCHEMBL1104892

SCHEMBL1104892

COc1cc(OC)c(Cc2cccc(Cl)c2F)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.46
HTR2C P28335 6/20 0.46
METTL3 Q86U44 1/20 0.43
MAPK1 P28482 1/20 0.41
MPO P05164 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MAPK10 P53779 1/20 0.38
MAPK14 Q16539 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL12453534 0.89 HTR2A (0.42) HTR2AHTR2CMETTL3MAPK1MPO
SCHEMBL1104895 0.89 METTL3 (0.42) HTR2AHTR2CMETTL3MPOMAPK10
SCHEMBL13885323 0.87 HTR2A (0.49) HTR2AHTR2CMAPK1TAAR1KDM4E
SCHEMBL17265669 0.83 HTR2A (0.46) HTR2AHTR2CMAPK1TAAR1KDM4E
SCHEMBL1104891 0.82 METTL3 (0.56) METTL3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4211289 0.81 METTL3 (0.55) METTL3KDM4EALDH1A1
SCHEMBL4207612 0.80 METTL3 (0.50) METTL3KDM4EALDH1A1LMNA
SCHEMBL16380484 0.80 METTL3 (0.46) METTL3MPOKDM4ELMNA
SCHEMBL15561430 0.80 METTL3 (0.43) HTR2AHTR2CMETTL3MPOMAPK10
SCHEMBL1104898 0.79 METTL3 (0.49) METTL3KDM4EALDH1A1LMNA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190804-B1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS GILEAD SCIENCES INC (US) 2015-11-18 EP disclosed
EP-2069280-B1 Process and intermediates for preparing HIV integrase inhibitors GILEAD SCIENCES INC (US) 2015-03-25 EP disclosed
US-8796459-B2 Process and intermediates for preparing integrase inhibitors GILEAD SCIENCES, INC. (US) 2014-08-05 US disclosed
EP-2644587-A2 Process and intermediates for preparing integrase inhibitors GILEAD SCIENCES, INC. (US) 2013-10-02 EP disclosed
US-20130253200-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-09-26 US disclosed
US-8440831-B2 Process and intermediates for preparing integrase inhibitors GILEAD SCIENCES, INC. (US) 2013-05-14 US disclosed
US-20130116437-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-05-09 US disclosed
US-8324244-B2 Process and intermediates for preparing integrase inhibitors GILEAD SCIENCES, INC. (US) 2012-12-04 US disclosed
US-20120238758-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-09-20 US disclosed
US-8153801-B2 Process and intermediates for preparing integrase inhibitors GILEAD SCIENCES, INC. (US) 2012-04-10 US disclosed
US-20100292480-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS GILEAD SCIENCES, INC (US) 2010-11-18 US disclosed
US-20100292480-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS GILEAD SCIENCES, INC (US) 2010-11-18 US disclosed
US-7825252-B2 Process and intermediates for preparing integrase inhibitors GILEAD SCIENCES, INC. (US) 2010-11-02 US disclosed
US-7825252-B2 Process and intermediates for preparing integrase inhibitors GILEAD SCIENCES, INC. (US) 2010-11-02 US disclosed
US-20090099366-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-04-16 US disclosed
US-20090099366-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-04-16 US disclosed
WO-2009036161-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-03-19 WO disclosed
US-20080125594-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-05-29 US disclosed
US-20080125594-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-05-29 US disclosed
WO-2008033836-A2 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-03-20 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 (6 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-20090099366-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS TYMS, TYMP, POLB HTR2A 4438/4885HTR2C 3988/4885METTL3 2511/4885
US-20120238758-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS TYMS, TYMP, POLB HTR2A 4438/4885HTR2C 3988/4885METTL3 2511/4885
US-20130116437-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS TYMS, TYMP, POLB HTR2A 4438/4885HTR2C 3988/4885METTL3 2511/4885
US-20080125594-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS TYMS, TYMP, POLB HTR2A 4438/4885HTR2C 3988/4885METTL3 2511/4885
US-20100292480-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS TYMS, TYMP, POLB HTR2A 4438/4885HTR2C 3988/4885METTL3 2511/4885
US-20130253200-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS TYMS, TYMP, POLB HTR2A 4438/4885HTR2C 3988/4885METTL3 2511/4885

“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.