SCHEMBL2414963

SCHEMBL2414963

Clc1ccccc1-c1cc(CBr)ncn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 10/20 0.51
▸ CYP2C19 P33261 8/20 0.51
▸ CYP3A4 P08684 7/20 0.51
▸ TSHR P16473 6/20 0.51
▸ CLK4 Q9HAZ1 6/20 0.51
▸ CYP2D6 P10635 5/20 0.51
▸ ALOX15 P16050 4/20 0.51
▸ MAPK1 P28482 4/20 0.51
▸ ALDH1A1 P00352 2/20 0.47
▸ USP2 O75604 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAPK14 Q16539 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39

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
SCHEMBL2413746 0.87 AVPR2 (0.41) CYP1A2CYP2C19CYP3A4TSHRCLK4
SCHEMBL10939790 0.82 CYP1A2 (0.58) CYP1A2CYP2C19CYP3A4TSHRCLK4
SCHEMBL28317349 0.77 CYP1A2 (0.46) CYP1A2CYP2C19CYP3A4TSHRCLK4
SCHEMBL2408676 0.76 CYP1A2 (0.57) CYP1A2CYP2C19CYP3A4TSHRCLK4
SCHEMBL2411099 0.74 CYP1A2 (0.54) CYP1A2CYP2C19CYP3A4TSHRCLK4
SCHEMBL1445151 0.74 MIF (0.56) CYP1A2CYP2C19CYP3A4TSHRCLK4
SCHEMBL2409291 0.73 CYP1A2 (0.44) CYP1A2CYP2C19CYP3A4TSHRCLK4
SCHEMBL28479488 0.71 CYP1A2 (0.52) CYP1A2CYP2C19CYP3A4TSHRCLK4
SCHEMBL2408966 0.70 CYP1A2 (0.51) CYP1A2CYP2C19CYP3A4TSHRCLK4
SCHEMBL28853223 0.69 L3MBTL1 (0.48) CYP1A2CYP2C19CYP3A4TSHRCLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9687476-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 — — US disclosed
US-9687476-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 — — US disclosed
US-9687476-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 — — US disclosed
EP-2539326-B1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER IP GMBH (DE) 2017-05-03 — — EP disclosed
EP-2539326-B1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER IP GMBH (DE) 2017-05-03 — — EP disclosed
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-25 — — US disclosed
US-9187466-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 — — US disclosed
US-9187466-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 — — US disclosed
US-9187466-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 — — US disclosed
CN-103189363-B Biaryl linked aryl triazolones and uses thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-29 — — CN disclosed
US-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 — — US disclosed
US-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 — — US disclosed
US-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 — — US disclosed
CN-103189363-A Biaryl linked aryl triazolones and uses thereof BAYER IP GMBH 2013-07-03 — — CN disclosed
EP-2539326-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-01-02 — — EP disclosed
WO-2011104322-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-01 — — 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-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 CYP1A2 249/4885CYP2C19 660/4885CYP3A4 76/4885
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 CYP1A2 249/4885CYP2C19 660/4885CYP3A4 76/4885

“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.

Send feedback