Sugi Predict

Sugi Predict / Compounds / SCHEMBL1722688

SCHEMBL1722688

SCHEMBL1722688

O=C(O)c1nc(-c2c(F)cccc2F)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.44
▸ PIM1 P11309 9/20 0.40
▸ PIM2 Q9P1W9 8/20 0.40
▸ PIM3 Q86V86 8/20 0.40
▸ DHODH Q02127 2/20 0.39
▸ ALB P02768 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ACMSD Q8TDX5 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36

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
SCHEMBL318994 0.85 PIM2 (0.48) TTRPIM1PIM2PIM3
SCHEMBL1711448 0.81 PARP1 (0.48) PIM1PIM2PIM3ALDH1A1MAPT
SCHEMBL15880422 0.80 PIM2 (0.41) PIM1PIM2PIM3ALDH1A1MAPT
SCHEMBL11906918 0.80 MAP2K3 (0.53) DHODHALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL1711667 0.78 GRK6 (0.41) MAPTKDM4ETSHRCA1CA2
SCHEMBL15879757 0.77 PIM2 (0.41) TTRPIM1PIM2PIM3DHODH
SCHEMBL318982 0.76 KDM4E (0.57) TTRPIM1PIM2PIM3DHODH
SCHEMBL15872648 0.76 ATR (0.52) PIM1PIM2PIM3
SCHEMBL29600561 0.76 ATR (0.52) PIM1PIM2PIM3
SCHEMBL2465207 0.73 CYP3A4 (0.38) TTRPIM1PIM2PIM3DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174002-B2 Pyridine derivatives as CFTR modulators NuBridge BioSciences (US) 2019-01-08 — — US disclosed
US-9981945-B2 Pyrimidine derivatives as CFTR modulators NuBridge BioSciences 2018-05-29 — — US disclosed
US-9890149-B2 Isothiazole derivatives as CFTR modulators NuBridge BioSciences (US) 2018-02-13 — — US disclosed
US-20170101394-A1 PYRIDINE DERIVATIVES AS CFTR MODULATORS NuBridge BioSciences 2017-04-13 — — US disclosed
US-20170101395-A1 PYRIMIDINE DERIVATIVES AS CFTR MODULATORS NuBridge BioSciences 2017-04-13 — — US disclosed
US-20170101403-A1 ISOTHIAZOLE DERIVATIVES AS CFTR MODULATORS NuBridge BioSciences 2017-04-13 — — US disclosed
WO-2017045615-A1 PYRIDINE DERIVATIVE PIM KINASE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINE PREPARATION 上海吉铠医药科技有限公司 2017-03-23 — — WO disclosed
WO-2017045616-A1 ISOTHIAZOLE DERIVATIVE PIM KINASE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINE PREPARATION 上海吉铠医药科技有限公司 2017-03-23 — — WO disclosed
WO-2017045612-A1 PYRIMIDINE DERIVATIVE PIM KINASE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINE PREPARATION 上海吉铠医药科技有限公司 2017-03-23 — — WO disclosed
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2015-11-05 — — US disclosed
US-8329732-B2 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-12-11 — — US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 — — US disclosed
US-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE BURGER MATTHEW T (US) 2012-05-31 — — US disclosed
US-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE BURGER MATTHEW T (US) 2012-05-31 — — US disclosed
US-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE BURGER MATTHEW T (US) 2012-05-31 — — US disclosed
EP-2344474-A1 PICOLINAMIDE DERIVATIVES AS KINASE INHIBITORS Novartis AG (CH) 2011-07-20 — — EP disclosed
WO-2010026124-A1 PICOLINAMIDE DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 — — WO disclosed
US-20100056576-A1 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-03-04 — — US disclosed
US-20100056576-A1 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-03-04 — — US disclosed
US-20100056576-A1 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-03-04 — — US 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 (8 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-20170101403-A1 ISOTHIAZOLE DERIVATIVES AS CFTR MODULATORS CFTR, SCNN1B, SLC10A2 TTR 2781/4885PIM1 3128/4885PIM2 2568/4885
US-10174002-B2 Pyridine derivatives as CFTR modulators CFTR, SCNN1B, SLC26A4 TTR 2763/4885PIM1 3664/4885PIM2 3332/4885
US-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 TTR 3951/4885PIM1 1/4885PIM2 2/4885
US-20100056576-A1 Kinase inhibitors and methods of their use PIM1, PIM2, PIM3 TTR 3951/4885PIM1 1/4885PIM2 2/4885
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 TTR 3951/4885PIM1 1/4885PIM2 2/4885
US-20170101395-A1 PYRIMIDINE DERIVATIVES AS CFTR MODULATORS CFTR, P2RY11, TYMS TTR 2112/4885PIM1 4268/4885PIM2 3890/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 TTR 3443/4885PIM1 1/4885PIM2 2/4885
US-20170101394-A1 PYRIDINE DERIVATIVES AS CFTR MODULATORS CFTR, SCNN1B, SLC26A4 TTR 2811/4885PIM1 3489/4885PIM2 3155/4885

“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.