Sugi Predict

Sugi Predict / Compounds / SCHEMBL318918

SCHEMBL318918

SCHEMBL318918

O=C(O)c1nc(-c2c(F)cccc2F)ncc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.42
▸ TYK2 P29597 1/20 0.40
▸ ABL1 P00519 2/20 0.36
▸ BCR P11274 2/20 0.36
▸ DHODH Q02127 2/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ ALB P02768 1/20 0.34
▸ GCK P35557 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ PLAU P00749 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ P4HTM Q9NXG6 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 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
SCHEMBL14801053 0.84 NPC1 (0.43) DHODHGSK3BHDAC1HDAC6P4HTM
SCHEMBL318938 0.82 TYK2 (0.43) TTRTYK2DHODHALBCYP3A4
SCHEMBL5778824 0.78 MEN1 (0.48) KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3371440 0.71 KDM4E (0.40) KDM4EALDH1A1MAPTCYP3A4EGLN1
SCHEMBL320207 0.70 KDM4E (0.47) TTRTYK2KDM4EAURKAP4HTM
SCHEMBL12277332 0.69 PTGES (0.40) TTRTYK2HDAC1HDAC6KDM4E
SCHEMBL29912178 0.67 ALB (0.49) TTRTYK2DHODHALB
SCHEMBL16113855 0.67 ALB (0.49) TTRTYK2DHODHALB
SCHEMBL11907633 0.67 ATR (0.38) TYK2DHODHGSK3BHDAC6KDM4E
SCHEMBL14068041 0.67 PIM1 (0.40) TTRTYK2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173883-B2 Ring-substituted N-pyridinyl amides as kinase inhibitors NOVARTIS AG (CH) 2015-11-03 — — US disclosed
US-20150150873-A1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2015-06-04 — — US disclosed
US-20150133473-A1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-05-14 — — US disclosed
EP-2861585-A1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS Novartis AG (CH) 2015-04-22 — — EP disclosed
US-8987457-B2 Ring-substituted N-pyridinyl amides as kinase inhibitors NOVARTIS AG (CH) 2015-03-24 — — US disclosed
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 — — US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 — — US disclosed
US-20140228363-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2014-08-14 — — US disclosed
WO-2014033631-A1 N-(3-PYRIDYL) BIARYLAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2014-03-06 — — WO disclosed
EP-2681197-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2014-01-08 — — EP disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 — — EP disclosed
EP-2590968-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS Novartis AG (CH) 2013-05-15 — — EP disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 — — US disclosed
CN-103080106-A Cyclic ether compounds useful as kinase inhibitors NOVARTIS AG 2013-05-01 — — CN disclosed
WO-2012120415-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-13 — — WO disclosed
US-20120225061-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-09-06 — — US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 — — US disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 — — WO disclosed
EP-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 — — EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 — — 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 (7 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-20150133473-A1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS PIM1, PIM2, MAP3K1 TTR 2036/4885TYK2 244/4885ABL1 63/4885
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS PIM1, GSK3A, GSK3B TTR 4863/4885TYK2 169/4885ABL1 11/4885
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 TTR 3443/4885TYK2 111/4885ABL1 4/4885
US-20150150873-A1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS PIM1, PIM2, MAP3K1 TTR 2036/4885TYK2 244/4885ABL1 63/4885
US-20140228363-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS PIM1, PIM2, PIM3 TTR 2095/4885TYK2 161/4885ABL1 40/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 TTR 3443/4885TYK2 111/4885ABL1 4/4885
US-20120225061-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS PIM1, PIM2, PIM3 TTR 2095/4885TYK2 161/4885ABL1 40/4885

“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.