Sugi Predict

Sugi Predict / Compounds / SCHEMBL1780933

SCHEMBL1780933

SCHEMBL1780933

Cc1onc(-c2ccc(F)cc2)c1C(O)c1c(-c2ccc(F)cc2)noc1C

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.74
▸ KMT2A Q03164 1/20 0.74
▸ PTGS2 P35354 3/20 0.48
▸ PTGS1 P23219 1/20 0.44
▸ GPBAR1 Q8TDU6 1/20 0.44
▸ BRD4 O60885 1/20 0.43
▸ MAPK14 Q16539 2/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ CSNK1D P48730 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ GABRA5 P31644 5/20 0.41
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ HTR5A P47898 1/20 0.39

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
SCHEMBL4300399 0.83 ATM (0.54) ATMKMT2AGPBAR1BRD4GABRA5
SCHEMBL2964778 0.83 ATM (0.53) ATMKMT2ABRD4GABRA5HTR7
SCHEMBL1781880 0.81 ATM (0.63) ATMKMT2APTGS2PTGS1GPBAR1
SCHEMBL2956539 0.78 ATM (0.54) ATMKMT2ABRD4GABRA5
SCHEMBL4305043 0.78 ATM (0.54) ATMKMT2APTGS1GPBAR1BRD4
SCHEMBL24654837 0.77 ATM (0.51) ATMKMT2APTGS2PTGS1GPBAR1
SCHEMBL8264062 0.77 PTGS2 (0.54) ATMKMT2APTGS2PTGS1GPBAR1
SCHEMBL4306194 0.74 ATM (0.60) ATMKMT2APTGS2PTGS1GPBAR1
SCHEMBL27585637 0.73 MAPK14 (0.49) ATMKMT2APTGS2MAPK14MAPK9
SCHEMBL27913634 0.73 GPBAR1 (0.60) ATMKMT2APTGS2GPBAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231651-B1 ISOXAZOLO-PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-11-21 — — EP disclosed
EP-2768821-B1 SOLID FORMS OF (1,1-DIOXO-4-THIOMORPHOLINYL)-[6-[[3-(4-FLUOROPHENYL)-5-METHYL-4-ISOXAZOLYL]METHOXY]-3-PYRIDINYL]-METHANONE HOFFMANN LA ROCHE (CH) 2016-11-16 — — EP disclosed
EP-2767536-B1 Isoxazolo-pyridine derivatives HOFFMANN LA ROCHE (CH) 2015-09-02 — — EP disclosed
US-9073908-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2015-07-07 — — US disclosed
US-8975397-B2 Solid forms HOFFMANN-LA ROCHE INC. (US) 2015-03-10 — — US disclosed
EP-2227467-B1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-12-31 — — EP disclosed
US-20140329806-A1 NOVEL SOLID FORMS HOFFMANN-LA ROCHE INC. (US) 2014-11-06 — — US disclosed
US-8877782-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-11-04 — — US disclosed
US-8877783-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-11-04 — — US disclosed
US-8846719-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-09-30 — — US disclosed
US-20130274468-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 — — US disclosed
US-8518974-B2 Isoxazolo-pyridine derivatives Hoffmann-La Roche Inc (US) 2013-08-27 — — US disclosed
US-20130172329-A1 NOVEL SOLID FORMS HOFFMANN-LA ROCHE INC. (US) 2013-07-04 — — US disclosed
US-20130102778-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL- METHOXY NICOTINIC ACIDS HOFFMANN-LA ROCHE INC. (US) 2013-04-25 — — US disclosed
US-20120184538-A1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-07-19 — — US disclosed
US-7943619-B2 Isoxazolo-pyridazine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-17 — — US disclosed
EP-2231651-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-29 — — EP disclosed
WO-2009071477-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 — — WO disclosed
US-20090143385-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 — — US disclosed
US-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES ROCHE PALO ALTO LLC 2009-06-04 — — 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 (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-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES GABRA5, GABRA1, CHRNA5 ATM 2740/4885KMT2A 3647/4885PTGS2 3620/4885
US-20090143385-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES GABRA5, CHRNA5, GABRA1 ATM 3555/4885KMT2A 3099/4885PTGS2 1436/4885
US-20130172329-A1 NOVEL SOLID FORMS F12, SLC10A1, CYP2F1 ATM 4452/4885KMT2A 3841/4885PTGS2 1981/4885
US-20130274468-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 ATM 2594/4885KMT2A 3542/4885PTGS2 3560/4885
US-20140329806-A1 NOVEL SOLID FORMS F12, SLC10A1, CYP2F1 ATM 4452/4885KMT2A 3841/4885PTGS2 1981/4885
US-20130102778-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL- METHOXY NICOTINIC ACIDS NAPRT, CHRNA1, CHRM1 ATM 4222/4885KMT2A 2326/4885PTGS2 2191/4885
US-20120184538-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 ATM 2594/4885KMT2A 3542/4885PTGS2 3560/4885

“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.