SCHEMBL1637217

SCHEMBL1637217

CNc1cc(F)c(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.46
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
TSHR P16473 1/20 0.35
KCNH2 Q12809 1/20 0.33
EGFR P00533 1/20 0.32
DHFR P00374 3/20 0.32
CYP1A2 P05177 1/20 0.30
KIF11 P52732 1/20 0.30
GRM4 Q14833 1/20 0.30

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
SCHEMBL14528479 0.85 RAPGEF4 (0.45) RAPGEF4CYP1A2
SCHEMBL5515978 0.85 RAPGEF4 (0.36) RAPGEF4
SCHEMBL16838143 0.83 RAPGEF4 (0.35) RAPGEF4TSHRKCNH2CYP1A2
SCHEMBL5513274 0.83 RAPGEF4 (0.35) RAPGEF4DHFRCYP1A2
SCHEMBL5517867 0.83 RAPGEF4 (0.35) RAPGEF4CES2CES1
SCHEMBL5518604 0.80 RAPGEF4 (0.35) RAPGEF4TSHRKCNH2
SCHEMBL5516191 0.80 HDAC1 (0.41) RAPGEF4TSHRKCNH2
SCHEMBL16838142 0.79 RAPGEF4 (0.33) RAPGEF4
SCHEMBL16838140 0.79 RAPGEF4 (0.33) RAPGEF4
SCHEMBL25082732 0.78 KCNH2 (0.34) RAPGEF4TSHRKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 US disclosed
WO-2021250461-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2021-12-16 WO disclosed
US-10392349-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2019-08-27 US disclosed
US-10364228-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2019-07-30 US disclosed
CN-106536525-B Compound 葛兰素史密斯克莱知识产权发展有限公司 2019-05-03 CN disclosed
US-10196376-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2019-02-05 US disclosed
US-20190016682-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2019-01-17 US disclosed
US-20180201590-A1 AZOCANE AND AZONANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2018-07-19 US disclosed
US-20180201590-A1 AZOCANE AND AZONANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2018-07-19 US disclosed
US-20180044300-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2018-02-15 US disclosed
US-20110183977-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2011-07-28 US disclosed
WO-2011051704-A1 CHROMENONE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2011-05-05 WO disclosed
US-20110098271-A1 CHROMENONE DERIVATIVES ASTRAZENECA AB (SE) 2011-04-28 US disclosed
US-7906529-B2 Benzene, pyridine, and pyridazine derivatives SERENEX, INC. (US) 2011-03-15 US disclosed
US-7879795-B2 can be coadministered with antimicrobial agents for treatment of infections caused by drug resistant bacteria; 2-Amino-N-{4-Amino-1-[-3-phenyl-1-(R)-(quinolin-3-ylcarbomoyl)-propylcarbamoyl]-butyl}succinamic acid; 2,5-Diamino-pentanoic acid [3-phenyl-1-(R)-(4-phenyl-thiazol-2-ylcarbamoyl)-propyl]-amide MPEX PHARMACEUTICALS, INC. (US) 2011-02-01 US disclosed
US-7358370-B2 Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide SERENEX, INC. (US) 2008-04-15 US disclosed
US-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS REMPEX PHARMACEUTICALS, INC. 2008-03-27 US disclosed
WO-2007054623-A2 MAMMALIAN HEDGEHOG SIGNALING INHIABITORS LICENTIA OY (FI) 2007-05-18 WO disclosed
US-20050239841-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US disclosed
WO-2005051381-A1 Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 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 (11 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-20190016682-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 RAPGEF4 3379/4885CES2 332/4885CES1 46/4885
US-20110098271-A1 CHROMENONE DERIVATIVES RB1, CYP11B1, CCND3 RAPGEF4 2773/4885CES2 3423/4885CES1 1054/4885
US-10392349-B2 Azepane derivatives and methods of treating hepatitis B infections HAVCR2, HDGF, AZI2 RAPGEF4 3379/4885CES2 332/4885CES1 46/4885
US-10196376-B2 Hepatitis B antiviral agents HAVCR2, EIF2AK2, IRF3 RAPGEF4 2681/4885CES2 1573/4885CES1 323/4885
US-10364228-B2 Azepane derivatives and methods of treating hepatitis B infections HAVCR2, HDGF, AZI2 RAPGEF4 3379/4885CES2 332/4885CES1 46/4885
US-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS ABCB1, ABCB11, SLC47A2 RAPGEF4 1807/4885CES2 111/4885CES1 203/4885
US-20180201590-A1 AZOCANE AND AZONANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, SLC10A1 RAPGEF4 3963/4885CES2 742/4885CES1 83/4885
US-20180044300-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 RAPGEF4 3379/4885CES2 332/4885CES1 46/4885
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 RAPGEF4 4313/4885CES2 4573/4885CES1 2298/4885
US-20050239841-A1 New compounds MCHR1, NPY1R, HCRTR1 RAPGEF4 2333/4885CES2 2387/4885CES1 1864/4885
US-20110183977-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 RAPGEF4 3156/4885CES2 4297/4885CES1 2720/4885

“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.