SCHEMBL165618

SCHEMBL165618

O=c1[nH]nc(-c2ccc(Cl)cc2)n1CC(O)(O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 4/20 0.44
GFER P55789 2/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA9 Q16790 2/20 0.39
AVPR2 P30518 5/20 0.35
AVPR1A P37288 5/20 0.35
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NOTUM Q6P988 2/20 0.33
METAP2 P50579 1/20 0.33

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
Water SCHEMBL2512796 0.99 APOBEC3G (0.43) APOBEC3GGFERLMNATDP1ALDH1A1
SCHEMBL16542299 0.87 APOBEC3G (0.45) APOBEC3GGFERLMNATDP1ALDH1A1
SCHEMBL8232792 0.86 APOBEC3G (0.48) APOBEC3GGFERLMNATDP1ALDH1A1
SCHEMBL8227328 0.81 APOBEC3G (0.51) APOBEC3GGFERLMNATDP1ALDH1A1
SCHEMBL168320 0.80 APOBEC3G (0.45) APOBEC3GGFERLMNATDP1ALDH1A1
SCHEMBL19265137 0.78 AVPR2 (0.48) APOBEC3GGFERLMNATDP1ALDH1A1
SCHEMBL256612 0.78 AVPR2 (0.51) AVPR2AVPR1A
SCHEMBL409762 0.78 AVPR2 (0.51) AVPR2AVPR1A
SCHEMBL460084 0.78 AVPR2 (0.51) AVPR2AVPR1A
SCHEMBL8738538 0.77 APOBEC3G (0.51) APOBEC3GGFERLMNATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11173151-B2 Substituted triazole derivatives and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-11-16 US disclosed
US-11091463-B2 Amide-substituted pyridinyltriazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-08-17 US disclosed
CN-113121504-A Amide-substituted pyridyl triazole derivatives and use thereof 拜耳制药股份公司 2021-07-16 CN disclosed
CN-109415347-B Amide-substituted pyridyl triazole derivatives and use thereof 拜耳制药股份公司 2021-05-07 CN disclosed
EP-3452463-B1 AMIDE-SUBSTITUTED PYRIDINYLTRIAZOLE DERIVATIVES AND USES THEREOF Bayer Pharma AG (DE) 2021-03-24 EP disclosed
US-20200316045-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-10-08 US disclosed
EP-3700900-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF Bayer Aktiengesellschaft (DE) 2020-09-02 EP disclosed
EP-3452470-B1 AMIDE-SUBSTITUTED PHENYLTRIAZOLE DERIVATIVES AND USES THEREOF Bayer Pharma AG (DE) 2020-03-18 EP disclosed
US-10472348-B2 Amide-substituted pyridinyltriazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-11-12 US disclosed
US-20190144423-A1 AMIDE-SUBSTITUTED PYRIDINYLTRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-05-16 US disclosed
WO-2011104322-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-01 WO disclosed
WO-2011104322-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-01 WO disclosed
WO-2011023703-A1 HETEROCYCLIC-SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-03 WO disclosed
WO-2011023703-A1 HETEROCYCLIC-SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-03 WO disclosed
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-14 US disclosed
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-14 US disclosed
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-14 US disclosed
WO-2010105770-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-23 WO disclosed
WO-2010105750-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-23 WO disclosed
WO-2010063402-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-10 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 (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-10472348-B2 Amide-substituted pyridinyltriazole derivatives and uses thereof AADAC, GLS, PDXK APOBEC3G 2789/4885GFER 2245/4885LMNA 1110/4885
US-20190144423-A1 AMIDE-SUBSTITUTED PYRIDINYLTRIAZOLE DERIVATIVES AND USES THEREOF AADAC, GLS, PDXK APOBEC3G 2789/4885GFER 2245/4885LMNA 1110/4885
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 APOBEC3G 3004/4885GFER 2590/4885LMNA 726/4885
US-20200316045-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF GLS, TNNI3, CYP11B2 APOBEC3G 3094/4885GFER 3111/4885LMNA 1303/4885
US-11173151-B2 Substituted triazole derivatives and uses thereof GLS, TNNI3, CYP11B2 APOBEC3G 3094/4885GFER 3111/4885LMNA 1303/4885
US-11091463-B2 Amide-substituted pyridinyltriazole derivatives and uses thereof AADAC, GLS, PDXK APOBEC3G 2789/4885GFER 2245/4885LMNA 1110/4885

“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.