SCHEMBL1152499

SCHEMBL1152499

O=c1[nH]ccc2c1Nc1ccc(F)cc1C2(CCC1CC1)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL6301536 0.88 CYP46A1 (0.42) MAPTKMT2ATP53
SCHEMBL1151860 0.86 MAPT (0.32) MAPTCYP1A2CYP2C19KMT2ATP53
SCHEMBL1152307 0.85 HTR7 (0.33) MAPTCYP1A2CYP2C19KMT2A
SCHEMBL1152937 0.85 KMT2A (0.34) MAPTCYP1A2CYP2C19KMT2A
SCHEMBL1152602 0.85 JAK2 (0.33) MAPTCYP1A2CYP2C19KMT2A
SCHEMBL1152556 0.85 CYP1A2 (0.33) MAPTCYP1A2CYP2C19KMT2A
SCHEMBL6296986 0.84 HTR7 (0.35) MAPTCYP1A2CYP2C19KMT2A
SCHEMBL1153092 0.83 KMT2A (0.36) MAPTCYP1A2CYP2C19KMT2A
SCHEMBL6295433 0.83 JAK2 (0.32) MAPTCYP1A2CYP2C19KMT2A
SCHEMBL1152916 0.82 CYP1A2 (0.32) MAPTCYP1A2CYP2C19KMT2A

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 MAPT 1583/4885CYP1A2 3895/4885CYP2C19 3439/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS MAPT 1583/4885CYP1A2 3895/4885CYP2C19 3439/4885
US-20040023955-A1 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors TYMP, POLRMT, DPYD MAPT 1600/4885CYP1A2 403/4885CYP2C19 231/4885
US-20020107261-A1 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors TYMP, POLRMT, DPYD MAPT 1600/4885CYP1A2 403/4885CYP2C19 231/4885

“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.