SCHEMBL2570486

SCHEMBL2570486

COc1cc(CN)ccc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.57
TAAR1 Q96RJ0 1/20 0.47
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2E1 P05181 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP4B1 P13584 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP3A5 P20815 1/20 0.46
CYP2A7 P20853 1/20 0.46
CYP3A7 P24462 1/20 0.46
CYP2F1 P24903 1/20 0.46
CYP2C18 P33260 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP2J2 P51589 1/20 0.46
CYP4F2 P78329 1/20 0.46

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
SCHEMBL5991140 0.86 CSNK2A1 (0.53) CSNK2A1TAAR1KDM4EATMHTR7
SCHEMBL3574310 0.84 CTSA (0.50) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL11672601 0.84 CYP1A2 (0.47) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL24093214 0.83 CYP1A1 (0.46) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL3573143 0.83 TTR (0.59) CSNK2A1CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL7229895 0.83 CYP1A1 (0.46) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL27815745 0.83 CYP1A1 (0.46) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL2806289 0.82 CSNK2A1 (0.54) CSNK2A1TAAR1ALDH1A1HPGD
SCHEMBL20782113 0.80 HTR7 (0.66) TAAR1CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL20781813 0.80 CYP1A1 (0.44) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10799510-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists GENFIT (FR) 2020-10-13 US disclosed
US-20170296548-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS GENFIT (FR) 2017-10-19 US disclosed
US-9586963-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists GENFIT (FR) 2017-03-07 US disclosed
US-20150038503-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS GENFIT (FR) 2015-02-05 US disclosed
EP-1698635-B1 BENZIMIDAZOLE DERIVATIVES AND MEDICAL USES THEREOF KISSEI PHARMACEUTICAL (JP) 2011-12-14 EP disclosed
EP-1813623-B1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2011-11-09 EP disclosed
US-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-7795236-B2 Purine nucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-14 US disclosed
US-7547680-B2 Benzimidazole derivatives and medical uses thereof KISSEI PHARMACEUTICALS, CO., LTD. (JP) 2009-06-16 US disclosed
US-20080038242-A1 Benzimidazole derivatives and medical uses thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 US disclosed
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1813623-A1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 EP disclosed
EP-1698635-A1 BENZIMIDAZOLE DERIVATIVES AND MEDICAL USES THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2006-09-06 EP 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-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF NUDT1, PNP, SLC28A2 CSNK2A1 3651/4885TAAR1 2821/4885CYP1A1 941/4885
US-20080038242-A1 Benzimidazole derivatives and medical uses thereof SLCO1B3, SLCO2A1, SLCO2B1 CSNK2A1 4228/4885TAAR1 2914/4885CYP1A1 761/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP CSNK2A1 3567/4885TAAR1 2908/4885CYP1A1 778/4885
US-10799510-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists NR1D1, NR1D2, PER2 CSNK2A1 255/4885TAAR1 285/4885CYP1A1 130/4885
US-20170296548-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS NR1D1, NR1D2, PER2 CSNK2A1 255/4885TAAR1 285/4885CYP1A1 130/4885
US-20150038503-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS NR1D1, NR1D2, PER2 CSNK2A1 255/4885TAAR1 285/4885CYP1A1 130/4885

“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.