Sugi Predict

Sugi Predict / Compounds / SCHEMBL318938

SCHEMBL318938

SCHEMBL318938

Nc1cnc(-c2c(F)cccc2F)nc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 4/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TTR P02766 1/20 0.42
▸ PIM1 P11309 8/20 0.42
▸ PIM3 Q86V86 7/20 0.42
▸ PIM2 Q9P1W9 7/20 0.42
▸ JAK1 P23458 3/20 0.36
▸ JAK3 P52333 2/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ ATR Q13535 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ HTR5A P47898 1/20 0.34
▸ ALB P02768 1/20 0.34
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34

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
SCHEMBL11907633 0.84 ATR (0.38) TYK2JAK1JAK3JAK2ATR
SCHEMBL319435 0.84 ATR (0.45) PIM1PIM3PIM2ATRDHODH
SCHEMBL318918 0.82 TTR (0.42) TYK2CYP3A4CYP2D6CYP2C9TTR
SCHEMBL14068041 0.81 PIM1 (0.40) TYK2CYP3A4CYP2D6CYP2C9TTR
SCHEMBL319097 0.78 MEN1 (0.48) —
SCHEMBL28300766 0.77 TYK2 (0.37) TYK2CYP3A4CYP2D6CYP2C9PIM1
SCHEMBL11909975 0.75 KMO (0.47) TTRPIM1DHODHHTR5AALB
SCHEMBL11907340 0.75 CYP1A2 (0.35) CYP3A4CYP2D6TTRPIM1PIM3
SCHEMBL318994 0.75 PIM2 (0.48) TTRPIM1PIM3PIM2
SCHEMBL318205 0.74 PIM2 (0.44) TTRPIM1PIM3PIM2DHODH

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 41 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-9173883-B2 Ring-substituted N-pyridinyl amides as kinase inhibitors NOVARTIS AG (CH) 2015-11-03 — — US disclosed
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-20150150873-A1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2015-06-04 — — 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
US-20150133473-A1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-05-14 — — US disclosed
US-20150133473-A1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-05-14 — — US disclosed
CN-101679266-B PIM kinase inhibitors and methods of their use NOVARTIS AG 2015-05-06 — — CN 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
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 — — 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 (5 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 TYK2 244/4885CYP3A4 847/4885CYP2D6 1286/4885
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS PIM1, GSK3A, GSK3B TYK2 169/4885CYP3A4 1642/4885CYP2D6 2526/4885
US-20150150873-A1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS PIM1, PIM2, MAP3K1 TYK2 244/4885CYP3A4 847/4885CYP2D6 1286/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 TYK2 111/4885CYP3A4 4161/4885CYP2D6 3527/4885
US-20120225061-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS PIM1, PIM2, PIM3 TYK2 161/4885CYP3A4 1066/4885CYP2D6 1610/4885

“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.