SCHEMBL1153763

SCHEMBL1153763

O=c1[nH]ccc2c1Nc1ccc(F)cc1C2(CNC1CCC1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.37
PARP1 P09874 6/20 0.35
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32
ELOVL6 Q9H5J4 3/20 0.32
ROCK1 Q13464 1/20 0.32
FLT3 P36888 1/20 0.32
OPRL1 P41146 2/20 0.31
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL1153363 0.98 PARP1 (0.37) JAK2PARP1KMT2ACYP1A2MAPT
SCHEMBL1153092 0.96 KMT2A (0.36) JAK2PARP1KMT2ACYP1A2MAPT
SCHEMBL1152534 0.90 CYP46A1 (0.39) PARP1MAPTELOVL6
SCHEMBL1152937 0.87 KMT2A (0.34) JAK2KMT2ACYP1A2MAPTCYP2C19
SCHEMBL1152011 0.85 CYP46A1 (0.40) JAK2KMT2AMAPTELOVL6
SCHEMBL1153412 0.84 KMT2A (0.34) JAK2KMT2ACYP1A2MAPTCYP2C19
SCHEMBL1151860 0.83 MAPT (0.32) JAK2KMT2ACYP1A2MAPTCYP2C19
SCHEMBL1152925 0.82 JAK2 (0.36) JAK2KMT2ACYP1A2MAPTCYP2C19
SCHEMBL1152499 0.82 MAPT (0.34) KMT2ACYP1A2MAPTCYP2C19
SCHEMBL1153197 0.80 HDAC1 (0.37) KMT2ACYP1A2MAPTCYP2C19ELOVL6

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 JAK2 1231/4885PARP1 3543/4885KMT2A 3886/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS JAK2 1231/4885PARP1 3543/4885KMT2A 3886/4885
US-20040023955-A1 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors TYMP, POLRMT, DPYD JAK2 3369/4885PARP1 43/4885KMT2A 2294/4885
US-20020107261-A1 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors TYMP, POLRMT, DPYD JAK2 3369/4885PARP1 43/4885KMT2A 2294/4885

“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.