SCHEMBL1153072

SCHEMBL1153072

COCCC1(C(F)(F)F)c2cc(F)ccc2Nc2c1cc[nH]c2=O

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
CCNE2 O96020 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
AKR1B1 P15121 3/20 0.31
TNKS O95271 1/20 0.31
PARP1 P09874 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
JAK2 O60674 2/20 0.30
KCNH2 Q12809 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
SCHEMBL1153156 0.89 MMP14 (0.34) CYP1A2MAPTCYP2C19KMT2AAKR1B1
SCHEMBL1152260 0.88 ELOVL6 (0.38) MAPT
SCHEMBL1152556 0.87 CYP1A2 (0.33) CYP1A2MAPTCYP2C19KMT2AAKR1B1
SCHEMBL1152307 0.85 HTR7 (0.33) CYP1A2MAPTCYP2C19KMT2AAKR1B1
SCHEMBL6295433 0.85 JAK2 (0.32) CYP1A2MAPTCYP2C19KMT2AAKR1B1
SCHEMBL1152916 0.84 CYP1A2 (0.32) CYP1A2MAPTCYP2C19KMT2AAKR1B1
SCHEMBL6296986 0.84 HTR7 (0.35) CYP1A2MAPTCYP2C19KMT2AAKR1B1
SCHEMBL1152030 0.83 MPO (0.33) CYP1A2MAPTCYP2C19KMT2AAKR1B1
SCHEMBL1153323 0.83 MPO (0.33) CDK2CYP1A2MAPTCYP2C19KMT2A
SCHEMBL1152779 0.83 CYP1A2 (0.30) CYP1A2MAPTCYP2C19KMT2AAKR1B1

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 CCNE1 4853/4885CDK2 4763/4885CCNE2 4864/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS CCNE1 4853/4885CDK2 4763/4885CCNE2 4864/4885
US-20040023955-A1 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors TYMP, POLRMT, DPYD CCNE1 588/4885CDK2 172/4885CCNE2 1508/4885
US-20020107261-A1 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors TYMP, POLRMT, DPYD CCNE1 588/4885CDK2 172/4885CCNE2 1508/4885

“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.