SCHEMBL14746268

SCHEMBL14746268

Cc1nc2[nH]nc(N)c2cc1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.36
▸ ILK Q13418 13/20 0.35
▸ SGK1 O00141 1/20 0.33
▸ IKBKB O14920 2/20 0.33
▸ AURKA O14965 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL29514381 0.85 ADORA2A (0.37) —
SCHEMBL14754763 0.85 ADORA2A (0.37) —
SCHEMBL31207334 0.82 KHK (0.35) JAK2ILKSGK1PDPK1
SCHEMBL31721629 0.78 HPGD (0.46) JAK2ILKIKBKBAURKAPDPK1
SCHEMBL14813996 0.78 JAK2 (0.36) JAK2IKBKBAURKAPDPK1TGFBR1
SCHEMBL26675449 0.75 JAK2 (0.44) JAK2AURKAPDPK1TGFBR1AURKB
SCHEMBL14814337 0.74 TYMS (0.39) —
SCHEMBL23356033 0.72 JAK2 (0.50) JAK2
SCHEMBL30791243 0.72 JAK2 (0.50) JAK2
SCHEMBL30791283 0.71 OPRM1 (0.38) ILKSGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751106-B1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER IP GMBH (DE) 2017-10-18 — — EP disclosed
EP-2751106-B1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER IP GMBH (DE) 2017-10-18 — — EP disclosed
US-20170240566-A1 AMINO-SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-24 — — US disclosed
US-20170240566-A1 AMINO-SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-24 — — US disclosed
US-20170233413-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-17 — — US disclosed
US-20170233413-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-17 — — US disclosed
EP-3186255-A1 AMINO-SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2017-07-05 — — EP disclosed
EP-3186251-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2017-07-05 — — EP disclosed
US-9605008-B2 Benzyl-1H-pyrazolo[3,4-b]pyridines and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-28 — — US disclosed
US-9605008-B2 Benzyl-1H-pyrazolo[3,4-b]pyridines and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-28 — — US disclosed
WO-2015004105-A1 BENZYL-1H-PYRAZOLO[3,4-B]PYRIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-01-15 — — WO disclosed
US-20140357637-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-04 — — US disclosed
US-20140357637-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-04 — — US disclosed
EP-2802592-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2014-11-19 — — EP disclosed
US-8859569-B2 Substituted annellated pyrimidines and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-10-14 — — US disclosed
EP-2751106-A1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF Bayer Intellectual Property GmbH (DE) 2014-07-09 — — EP disclosed
WO-2013104703-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-07-18 — — WO disclosed
WO-2013104703-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-07-18 — — WO disclosed
WO-2013030288-A1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-07 — — WO disclosed
WO-2013030288-A1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-07 — — 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 (3 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-20170240566-A1 AMINO-SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF TYMP, TYMS, DPYD JAK2 785/4885ILK 4791/4885SGK1 4391/4885
US-20170233413-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF TYMP, DPYD, TYMS JAK2 1697/4885ILK 4670/4885SGK1 4493/4885
US-20140357637-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF TYMP, DPYD, TYMS JAK2 550/4885ILK 4853/4885SGK1 3592/4885

“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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