SCHEMBL378936

SCHEMBL378936

Cc1ccc(Oc2ccc(C#N)cc2C)cc1N

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.50
AR P10275 8/20 0.49
HTR2A P28223 2/20 0.42
KCNH2 Q12809 2/20 0.42
SLC6A4 P31645 1/20 0.42
ESRRA P11474 1/20 0.40
EPAS1 Q99814 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
TBXA2R P21731 2/20 0.36
FFAR1 O14842 2/20 0.36

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
SCHEMBL5837567 0.79 HTR2A (0.65) LRRK2ARHTR2AKCNH2SLC6A4
SCHEMBL20155262 0.78 AR (0.51) LRRK2ARSLC6A4EPAS1
SCHEMBL25355415 0.78 AR (0.55) LRRK2ARHTR2AKCNH2SLC6A4
SCHEMBL4376339 0.78 AR (0.55) LRRK2ARHTR2AKCNH2SLC6A4
SCHEMBL29502034 0.78 ALDH1A1 (0.50) ARSLC6A4
SCHEMBL178452 0.78 ALDH1A1 (0.50) ARSLC6A4
SCHEMBL8826047 0.78 AR (0.56) LRRK2ARSLC6A4EPAS1MRGPRX4
SCHEMBL16453433 0.77 LRRK2 (0.48) LRRK2ARHTR2AKCNH2SLC6A4
Hydrochloric Acid SCHEMBL6476027 0.76 ALDH1A1 (0.48) ARSLC6A4
SCHEMBL12216024 0.75 AR (0.50) ARHTR2AKCNH2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981851-B1 KINASE INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2012-01-25 EP disclosed
US-8044083-B2 Kinase inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-10-25 US disclosed
US-8039639-B2 Kinase inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-10-18 US disclosed
CN-101415685-B Kinase inhibitors and methods of use thereof ARRAY BIOPHARMA INC 2011-08-24 CN disclosed
US-20110124878-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-05-26 US disclosed
CN-101415685-A Kinase inhibitors and methods of use thereof ARRAY BIOPHARMA INC (US) 2009-04-22 CN disclosed
US-20090023795-A1 Kinase Inhibitors And Methods Of Use Thereof ARRAY BIOPHARMA, INC. 2009-01-22 US disclosed
EP-1981851-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-10-22 EP disclosed
WO-2007089646-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-08-09 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 (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-20090023795-A1 Kinase Inhibitors And Methods Of Use Thereof MAP3K1, MAP3K19, MAP3K20 LRRK2 670/4885AR 3132/4885HTR2A 4192/4885
US-20110124878-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF MAP3K19, MAP3K2, MAP3K20 LRRK2 766/4885AR 2369/4885HTR2A 4002/4885

“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.