SCHEMBL264536

SCHEMBL264536

CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Br)cccc21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.36
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
NOS1 P29475 1/20 0.30
AXL P30530 1/20 0.30

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
SCHEMBL13881661 0.81 HTR2A (0.49) SLC6A2SLC6A4HTR2AHTR2C
SCHEMBL3709944 0.79 HTR2A (0.50) SLC6A2SLC6A4HTR2AHTR2C
SCHEMBL1956177 0.79 HTR2C (0.43) HTR2AHTR2C
SCHEMBL25141967 0.79 NOTUM (0.46) SLC6A2SLC6A4HTR2AHTR2CNOS1
SCHEMBL29830999 0.77 GPR3 (0.33) GRM2SLC6A2
SCHEMBL1077030 0.77 GPR3 (0.33) GRM2SLC6A2
SCHEMBL20855264 0.76 SLC6A2 (0.30) SLC6A2SLC6A4
SCHEMBL5511626 0.75 GRM2 (0.32) GRM2SLC6A2SLC6A4
SCHEMBL30776600 0.75 GRM2 (0.32) GRM2SLC6A2SLC6A4
SCHEMBL19617761 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed
US-8604042-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2013-12-10 US disclosed
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 US disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
EP-2351737-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles F. Hoffmann-La Roche AG (CH) 2011-08-03 EP disclosed
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 US disclosed
US-7803830-B2 3-amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2010-09-28 US disclosed
US-7803830-B2 3-amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2010-09-28 US disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 US disclosed
EP-1401812-B1 4-PIPERAZINYLINDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY HOFFMANN LA ROCHE (CH) 2006-06-28 EP disclosed
CN-1714077-A 2-, 3-, 4-or 5-substituted N1- (phenylsulfonyl) indoles and their therapeutic use BIOVITRUM AB (SE) 2005-12-28 CN disclosed
US-20050267096-A1 New indazole and indolone derivatives and their use pharmaceuticals PFIZER INC 2005-12-01 US disclosed
US-20050256106-A1 Novel compounds, their use and preparation BIOVITRUM AB, A STOCKHOLM, SWEDEN CORPORATION 2005-11-17 US disclosed
US-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA LTD. (CA) 2004-09-16 US disclosed
US-6790848-B2 TREATING CENTRAL NERVOUS SYSTEM OR GASTROINTESTINAL DISORDERS SYNTEX (U.S.A.) LLC 2004-09-14 US disclosed
EP-1326830-A1 2-, 3-, 4-, OR 5-SUBSTITUTED-N1-(BENZENSULFONYL)INDOLES AND THEIR USE IN THERAPY BIOVITRUM AB (SE) 2003-07-16 EP disclosed
US-20030045527-A1 4-piperazinylindole derivatives with 5-HT6 receptor affinity SYNTEX (U.S.A.) LLC 2003-03-06 US disclosed
US-20020165251-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-11-07 US disclosed
WO-2002032863-A1 2-, 3-, 4-, OR 5-SUBSTITUTED-N1-(BENZENSULFONYL)INDOLES AND THEIR USE IN THERAPY BIOVITRUM AB (SE) 2002-04-25 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 (7 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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK GRM2 981/4885SLC6A2 3945/4885SLC6A4 3665/4885
US-20030045527-A1 4-piperazinylindole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR3A GRM2 249/4885SLC6A2 156/4885SLC6A4 23/4885
US-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists PTGDR, PTGDR2, PTGIR GRM2 1395/4885SLC6A2 2663/4885SLC6A4 1184/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 GRM2 1455/4885SLC6A2 4011/4885SLC6A4 3640/4885
US-20020165251-A1 Novel compounds, their use and preparation HTR6, HTR1A, HTR5A GRM2 148/4885SLC6A2 180/4885SLC6A4 34/4885
US-20050256106-A1 Novel compounds, their use and preparation HTR6, HTR3C, HTR1A GRM2 185/4885SLC6A2 154/4885SLC6A4 32/4885
US-20050267096-A1 New indazole and indolone derivatives and their use pharmaceuticals DRD2, DRD3, DRD1 GRM2 538/4885SLC6A2 227/4885SLC6A4 99/4885

“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.