SCHEMBL1153323

SCHEMBL1153323

CCN(CC)CCC1(C(F)(F)F)c2cc(F)ccc2Nc2c1cc[nH]c2=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.33
HTR1A P08908 2/20 0.33
FLT3 P36888 5/20 0.32
KDR P35968 3/20 0.32
CDK2 P24941 1/20 0.31
KMT2A Q03164 2/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C19 P33261 1/20 0.30
AKR1B1 P15121 3/20 0.30
HTR7 P34969 1/20 0.30
PLK4 O00444 2/20 0.30
DCLK1 O15075 2/20 0.30
PDPK1 O15530 2/20 0.30
DAPK3 O43293 2/20 0.30
ROCK2 O75116 2/20 0.30
RPS6KA5 O75582 2/20 0.30
RPS6KA4 O75676 2/20 0.30
MAP4K4 O95819 2/20 0.30
CHEK2 O96017 2/20 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
SCHEMBL1152346 0.91 HTR2A (0.34) KMT2ACYP1A2MAPTCYP2C19HTR2A
SCHEMBL1152916 0.89 CYP1A2 (0.32) MPOKMT2ACYP1A2MAPTCYP2C19
SCHEMBL1152359 0.89 JAK2 (0.32) JAK2KCNH2
SCHEMBL1152556 0.88 CYP1A2 (0.33) KMT2ACYP1A2MAPTCYP2C19AKR1B1
SCHEMBL1152307 0.86 HTR7 (0.33) KMT2ACYP1A2MAPTCYP2C19AKR1B1
SCHEMBL6296986 0.85 HTR7 (0.35) KMT2ACYP1A2MAPTCYP2C19AKR1B1
SCHEMBL6295433 0.84 JAK2 (0.32) MPOKMT2ACYP1A2MAPTCYP2C19
SCHEMBL1152030 0.83 MPO (0.33) MPOFLT3KDRKMT2ACYP1A2
SCHEMBL1153156 0.83 MMP14 (0.34) KMT2ACYP1A2MAPTCYP2C19AKR1B1
SCHEMBL1153072 0.83 CCNE1 (0.32) CDK2KMT2ACYP1A2MAPTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040023955-A1 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors RODGERS JAMES D (US) 2004-02-05 US claimed
US-6596729-B2 Especially in combination with one or more HIV reverse transcriptase inhibitors, HIV protease inhibitors, fusion inhibitors, and/or CCR-5 BRISTOL-MYERS SQUIBB COMPANY 2003-07-22 US claimed
US-20020107261-A1 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors DUPONT PHARMACEUTICALS COMPANY 2002-08-08 US claimed
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2013-10-31 US disclosed
US-8475804-B2 Compositions and methods for treatment of filovirus-mediated diseases U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2013-07-02 US disclosed
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES ZALICUS INC. 2011-02-03 US disclosed
US-6969721-B2 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors BRISTOL-MYERS SQUIBB PHARMA (US) 2005-11-29 US disclosed
US-20040023955-A1 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors RODGERS JAMES D (US) 2004-02-05 US disclosed
US-6596729-B2 Especially in combination with one or more HIV reverse transcriptase inhibitors, HIV protease inhibitors, fusion inhibitors, and/or CCR-5 BRISTOL-MYERS SQUIBB COMPANY 2003-07-22 US disclosed
US-20020107261-A1 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors DUPONT PHARMACEUTICALS COMPANY 2002-08-08 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 (4 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-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS MPO 12/4885HTR1A 4623/4885FLT3 981/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS MPO 12/4885HTR1A 4623/4885FLT3 981/4885
US-20040023955-A1 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors TYMP, POLRMT, DPYD MPO 3519/4885HTR1A 1375/4885FLT3 3555/4885
US-20020107261-A1 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors TYMP, POLRMT, DPYD MPO 3519/4885HTR1A 1375/4885FLT3 3555/4885

“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.