SCHEMBL2413746

SCHEMBL2413746

Clc1cccc(-c2cc(CBr)ncn2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 1/20 0.41
▸ AVPR1A P37288 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ CYP1A2 P05177 7/20 0.40
▸ CYP3A4 P08684 5/20 0.40
▸ CYP2C19 P33261 5/20 0.40
▸ TSHR P16473 4/20 0.40
▸ CLK4 Q9HAZ1 4/20 0.40
▸ CYP2D6 P10635 3/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ KMO O15229 1/20 0.40
▸ NUDT1 P36639 2/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ CNR2 P34972 5/20 0.35
▸ TP53 P04637 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL2414963 0.87 CYP1A2 (0.51) IDO1CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL28265660 0.78 IDO1 (0.46) IDO1CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL2407142 0.76 IDO1 (0.44) IDO1CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL2414893 0.75 IDO1 (0.41) IDO1NUDT1P2RX7CNR2NOTUM
SCHEMBL2408676 0.71 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C19TSHRCLK4
SCHEMBL27599028 0.68 IDO1 (0.46) IDO1CLK4NUDT1P2RX7CNR2
SCHEMBL10939790 0.68 CYP1A2 (0.58) IDO1CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL11321778 0.66 CCR1 (0.36) —
SCHEMBL30547158 0.66 ASIC3 (0.49) IDO1CYP2D6MAPK1NUDT1CNR2
SCHEMBL2412404 0.66 RECQL (0.50) IDO1NUDT1P2RX7CNR2

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 AVPR2 3835/4885AVPR1A 3944/4885IDO1 998/4885
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 AVPR2 3835/4885AVPR1A 3944/4885IDO1 998/4885

“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.

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