SCHEMBL295918

SCHEMBL295918

NCc1cc(F)ccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.50
MPO P05164 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.38
P2RX7 Q99572 1/20 0.37
CHRM5 P08912 1/20 0.37
KIF11 P52732 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
MAOB P27338 1/20 0.36
NTRK1 P04629 1/20 0.35

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
SCHEMBL31504498 0.84 HTR2A (0.49) IDO1MPOSLC6A2SLC6A4KIF11
SCHEMBL109671 0.83 IDO1 (0.65) IDO1MPOSLC6A2SLC6A4LOXL2
Hydrochloric Acid SCHEMBL14157234 0.82 IDO1 (0.49) IDO1MPOSLC6A2SLC6A4KIF11
SCHEMBL12459222 0.82 MPO (0.41) IDO1MPOSLC6A2SLC6A4LOXL2
SCHEMBL6152758 0.81 IDO1 (0.50) IDO1SLC6A2SLC6A4P2RX7CHRM5
SCHEMBL29875850 0.79 IDO1 (0.46) IDO1SLC6A2SLC6A4P2RX7CHRM5
SCHEMBL6018761 0.79 CES2 (0.46) IDO1MPO
SCHEMBL21403423 0.79 IDO1 (0.46) IDO1SLC6A2SLC6A4P2RX7CHRM5
SCHEMBL938117 0.79 IDO1 (0.46) IDO1SLC6A2SLC6A4P2RX7CHRM5
SCHEMBL75416 0.79 IDO1 (0.46) IDO1SLC6A2SLC6A4P2RX7CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101166730-A Cinnoline compounds and their use as liver X receptor modilators WYETH CORP (US) 2008-04-23 CN claimed
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha LUM ROBERT T (US) 2005-04-14 US claimed
US-11046697-B2 Compounds and compositions useful for treating disorders related to NTRK BLUEPRINT MEDICINES CORPORATION 2021-06-29 US disclosed
US-20190263800-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON INC. 2019-08-29 US disclosed
US-20190169194-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK BLUEPRINT MEDICINES CORPORATION 2019-06-06 US disclosed
US-10017512-B2 Compounds and compositions useful for treating disorders related to NTRK BLUEPRINT MEDICINES CORPORATION (US) 2018-07-10 US disclosed
US-10017512-B2 Compounds and compositions useful for treating disorders related to NTRK BLUEPRINT MEDICINES CORPORATION (US) 2018-07-10 US disclosed
US-20170247370-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON INC. 2017-08-31 US disclosed
US-20170247370-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON INC. 2017-08-31 US disclosed
US-20170066773-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK BLUEPRINT MEDICINES CORPORATION 2017-03-09 US disclosed
US-20170066773-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK BLUEPRINT MEDICINES CORPORATION 2017-03-09 US disclosed
WO-2008064255-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2008-05-29 WO disclosed
WO-2008064265-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2008-05-29 WO disclosed
CN-101166730-A Cinnoline compounds and their use as liver X receptor modilators WYETH CORP (US) 2008-04-23 CN disclosed
WO-2007102771-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-13 WO disclosed
WO-2007056046-A1 P2X7 RECEPTOR ANTAGONISTS AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-05-18 WO disclosed
US-20070105842-A1 P2X7 receptor antagonists and methods of use ABBVIE INC. 2007-05-10 US disclosed
US-20060258689-A1 2,3-Difluoro-benzyl)-[6-(5-methyl-pyridin-2-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yl]-amine, useful for the prevention and treatment of pain, inflammation, cognitive disorders, anxiety and depression in humans EVOTEC SE (DE) 2006-11-16 US disclosed
EP-1150982-B1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkB-alpha CV THERAPEUTICS INC (US) 2005-10-12 EP disclosed
US-6790958-B2 ANTIPROLIFERATIVE AGENTS; FUNGICIDES LUM ROBERT T (US) 2004-09-14 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 (9 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-20060258689-A1 2,3-Difluoro-benzyl)-[6-(5-methyl-pyridin-2-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yl]-amine, useful for the prevention and treatment of pain, inflammation, cognitive disorders, anxiety and depression in humans BDNF, OPRL1, GRIN2D IDO1 449/4885MPO 706/4885SLC6A2 2711/4885
US-20170247370-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 IDO1 4111/4885MPO 395/4885SLC6A2 4264/4885
US-20170066773-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK NTRK2, NTRK3, NTRK1 IDO1 4816/4885MPO 4782/4885SLC6A2 456/4885
US-20070105842-A1 P2X7 receptor antagonists and methods of use P2RX7, P2RX1, P2RX3 IDO1 1662/4885MPO 3503/4885SLC6A2 202/4885
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha IKBKB, NFKB1, CDK4 IDO1 2053/4885MPO 4549/4885SLC6A2 2872/4885
US-10017512-B2 Compounds and compositions useful for treating disorders related to NTRK NTRK3, NTRK2, NTRK1 IDO1 4822/4885MPO 4824/4885SLC6A2 850/4885
US-11046697-B2 Compounds and compositions useful for treating disorders related to NTRK NTRK3, NTRK2, NTRK1 IDO1 4822/4885MPO 4824/4885SLC6A2 850/4885
US-20190169194-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK NTRK3, NTRK2, NTRK1 IDO1 4822/4885MPO 4824/4885SLC6A2 850/4885
US-20190263800-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 IDO1 4238/4885MPO 425/4885SLC6A2 4329/4885

“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.