Sugi Predict

Sugi Predict / Compounds / SCHEMBL3280218

SCHEMBL3280218

SCHEMBL3280218

NNc1cnccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.52
▸ POLB P06746 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ GAA P10253 2/20 0.46
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ MAPT P10636 2/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ULK1 O75385 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ AOC1 P19801 2/20 0.35
▸ AOC3 Q16853 2/20 0.35

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
SCHEMBL11900964 0.80 GAA (0.46) ALDH1A1POLBL3MBTL1TDP1GAA
SCHEMBL3433340 0.80 AOC1 (0.47) ALDH1A1POLBGAAMAPTGSK3A
Hydrochloric Acid SCHEMBL1964472 0.78 AOC1 (0.49) ALDH1A1POLBL3MBTL1TDP1GAA
SCHEMBL10202589 0.77 LATS1 (0.46) ALDH1A1POLBGAAMAPTGSK3A
SCHEMBL11900949 0.76 GAA (0.43) ALDH1A1POLBGAAMAPTGSK3A
SCHEMBL10264132 0.76 AOC1 (0.51) ALDH1A1GAAMAPTGSK3AGSK3B
SCHEMBL20772453 0.73 KIF11 (0.41) ALDH1A1POLBL3MBTL1GAAMAPT
SCHEMBL23060423 0.73 GAA (0.57) ALDH1A1POLBGAAMAPTGSK3A
SCHEMBL26624210 0.73 GAA (0.57) ALDH1A1POLBGAAMAPTGSK3A
SCHEMBL971004 0.72 AOC1 (0.43) ALDH1A1POLBL3MBTL1TDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10472348-B2 Amide-substituted pyridinyltriazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-11-12 — — US disclosed
US-20190142804-A1 FLUOROALKYL-SUBSTITUTED ARYLTRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-05-16 — — US disclosed
US-20190144423-A1 AMIDE-SUBSTITUTED PYRIDINYLTRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-05-16 — — US disclosed
EP-3452463-A1 AMIDE-SUBSTITUTED PYRIDINYLTRIAZOLE DERIVATIVES AND USES THEREOF Bayer Pharma Aktiengesellschaft (DE) 2019-03-13 — — EP disclosed
EP-3452469-A1 FLUOROALKYL-SUBSTITUTED ARYLTRIAZOLE DERIVATIVES AND USES THEREOF Bayer Pharma Aktiengesellschaft (DE) 2019-03-13 — — EP disclosed
CN-109415347-A Amide-substituted pyridyl triazole derivatives and use thereof 拜耳制药股份公司 2019-03-01 — — CN disclosed
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-06 — — US disclosed
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-06 — — US disclosed
US-7691888-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 — — US disclosed
US-7691888-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 — — US disclosed
US-7691888-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 — — US disclosed
EP-1799690-B1 THIAZOLYL-DIHYDRO INDAZOLES BOEHRINGER INGELHEIM INT (DE) 2008-04-16 — — EP disclosed
EP-1799690-B1 THIAZOLYL-DIHYDRO INDAZOLES BOEHRINGER INGELHEIM INT (DE) 2008-04-16 — — EP disclosed
EP-1799690-A1 THIAZOLYL-DIHYDRO INDAZOLES Boehringer Ingelheim International GmbH (DE) 2007-06-27 — — EP disclosed
US-20060100254-A1 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 — — US disclosed
WO-2006040281-A1 THIAZOLYL-DIHYDRO INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-20 — — 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-20060100254-A1 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases CDK1, MAPK1, NFATC1 ALDH1A1 1013/4885POLB 2755/4885L3MBTL1 3687/4885
US-10472348-B2 Amide-substituted pyridinyltriazole derivatives and uses thereof AADAC, GLS, PDXK ALDH1A1 1295/4885POLB 3079/4885L3MBTL1 3309/4885
US-20190144423-A1 AMIDE-SUBSTITUTED PYRIDINYLTRIAZOLE DERIVATIVES AND USES THEREOF AADAC, GLS, PDXK ALDH1A1 1295/4885POLB 3079/4885L3MBTL1 3309/4885
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES MKI67, CYP11B1, IGF1R ALDH1A1 41/4885POLB 4309/4885L3MBTL1 562/4885
US-11091463-B2 Amide-substituted pyridinyltriazole derivatives and uses thereof AADAC, GLS, PDXK ALDH1A1 1295/4885POLB 3079/4885L3MBTL1 3309/4885
US-20190142804-A1 FLUOROALKYL-SUBSTITUTED ARYLTRIAZOLE DERIVATIVES AND USES THEREOF AADAC, NAT1, FABP3 ALDH1A1 491/4885POLB 3035/4885L3MBTL1 2719/4885

“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.