SCHEMBL5825868

SCHEMBL5825868

CC(=O)c1cccc(CC(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.50
EPHX1 P07099 1/20 0.44
MAOA P21397 1/20 0.43
IL4I1 Q96RQ9 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL849483 0.84 FOLH1 (0.59) MRGPRX4ALDH1A1
SCHEMBL9917299 0.84 MAOB (0.49) MAOBMAOAIL4I1MRGPRX4ALDH1A1
SCHEMBL28316824 0.82 PARP1 (0.52) MAOBMAOAMRGPRX4
SCHEMBL10144968 0.81 LOXL2 (0.64) MRGPRX4ALDH1A1HPGD
SCHEMBL22867774 0.81 ATM (0.57) MRGPRX4ALDH1A1
SCHEMBL7637125 0.79 MAOB (0.51) MAOBMAOAIL4I1MRGPRX4ALDH1A1
SCHEMBL3335985 0.79 LMNA (0.59) MAOBMAOAIL4I1MRGPRX4ALDH1A1
SCHEMBL27981636 0.78 LOXL2 (0.44) MRGPRX4ALDH1A1LMNA
SCHEMBL27944407 0.78 LOXL2 (0.44) MRGPRX4ALDH1A1LMNA
SCHEMBL4958280 0.78 KAT6A (0.51) MAOBMAOAIL4I1ALDH1A1LMNA

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-11-14 US disclosed
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-11-14 US disclosed
EP-4219493-A1 BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2023-08-02 EP disclosed
EP-3728254-B1 BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-02-15 EP disclosed
US-20220081423-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-03-17 US disclosed
US-11028075-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-06-08 US disclosed
US-20210009588-A1 NOVEL BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-01-14 US disclosed
EP-3759098-A1 PYRIDINE-SULFONAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND RELATED CONDITIONS Genentech, Inc. (US) 2021-01-06 EP disclosed
WO-2020254451-A1 ANTICANCER COMBINATION THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-24 WO disclosed
US-10829487-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-11-10 US disclosed
US-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-29 US disclosed
WO-2019165290-A1 PYRIDINE-SULFONAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND RELATED CONDITIONS GENENTECH, INC. (US) 2019-08-29 WO disclosed
US-20190194192-A1 NOVEL BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-06-27 US disclosed
EP-2559730-A1 PROCESS FOR PRODUCING FLUORINE-CONTAINING COPOLYMER COMPOSITION AND FLUOROCARBON-RESIN MOLDED PRODUCT Asahi Glass Company, Limited (JP) 2013-02-20 EP disclosed
US-20130041109-A1 PROCESS FOR PRODUCING FLUORINATED COPOLYMER COMPOSITION AND FLUORORESIN MOLDED PRODUCT ASAHI GLASS COMPANY, LIMITED (JP) 2013-02-14 US disclosed
EP-2508564-A1 PROCESS FOR PRODUCING FLUOROCOPOLYMER NANOCOMPOSITE Asahi Glass Company, Limited (JP) 2012-10-10 EP disclosed
US-20120232207-A1 PROCESS FOR PRODUCING FLUORINATED COPOLYMER NANOCOMPOSITE ASAHI GLASS COMPANY, LIMITED (JP) 2012-09-13 US disclosed
JP-2006221936-A ELECTROLYTE AND BATTERY SONY CORP 2006-08-24 JP 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-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF ASAH2, ACER2, PCSK9 MAOB 1656/4885EPHX1 1567/4885MAOA 2521/4885
US-20220081423-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF TRPV1, HCN4, TRPA1 MAOB 1125/4885EPHX1 1493/4885MAOA 2896/4885
US-20210009588-A1 NOVEL BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS SOS1, SOST, SOS2 MAOB 1863/4885EPHX1 838/4885MAOA 2513/4885
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors SOS1, SOST, BMP1 MAOB 1540/4885EPHX1 931/4885MAOA 2118/4885
US-20190194192-A1 NOVEL BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS SOS1, SOST, SOS2 MAOB 1841/4885EPHX1 853/4885MAOA 2505/4885
US-11028075-B2 Therapeutic compounds and methods of use thereof TRPV1, HCN4, TRPA1 MAOB 1125/4885EPHX1 1493/4885MAOA 2896/4885
US-10829487-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors SOS1, SOST, BMP1 MAOB 1492/4885EPHX1 958/4885MAOA 2105/4885

“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.