SCHEMBL6806448

SCHEMBL6806448

CCc1ccc(C(=O)Nc2cnc3c(c2)CNCC3(C)C)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.46
BRAF P15056 8/20 0.41
EGFR P00533 5/20 0.41
ABL1 P00519 3/20 0.41
KCNQ3 O43525 2/20 0.40
KCNQ2 O43526 2/20 0.40
KCNE1 P15382 2/20 0.40
KCNQ1 P51787 2/20 0.40
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL6807469 0.88 KCNQ3 (0.43) RAF1BRAFKCNQ3KCNQ2KCNE1
Hydrochloric Acid SCHEMBL6806934 0.88 KCNQ3 (0.42) RAF1BRAFKCNQ3KCNQ2KCNE1
SCHEMBL6811926 0.86 BRAF (0.47) RAF1BRAFKCNQ3KCNQ2
Hydrochloric Acid SCHEMBL6811272 0.85 BRAF (0.46) RAF1BRAF
SCHEMBL6806622 0.85 S1PR3 (0.45) RAF1BRAFKCNQ3KCNQ2KCNE1
SCHEMBL6806598 0.81 BRAF (0.41) RAF1BRAFABL1KCNQ3KCNQ2
SCHEMBL6806456 0.77 KCNQ3 (0.55) KCNQ3KCNQ2KCNE1KCNQ1
Hydrochloric Acid SCHEMBL6805319 0.77 KCNQ3 (0.54) KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL6802166 0.76 GAA (0.42) KCNQ3KCNQ2
SCHEMBL6805923 0.76 MAPT (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1084122-B1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2003-10-22 EP claimed
US-20020143029-A1 Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity SMITHKLINE BEECHAM P.L.C. 2002-10-03 US claimed
US-6410555-B1 ANTIEPILEPTIC AGENTS; HEADACHES SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US claimed
EP-1084122-A1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2001-03-21 EP claimed
WO-1999065903-A1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1999-12-23 WO claimed
US-6762192-B2 USEFUL IN THERAPY AND PROPHYLAXIS OF EPILEPSY, MIGRAINE, AND OTHER DISORDERS SMITHKLINE BEECHUM P.L.C. (GB) 2004-07-13 US disclosed
EP-1084122-B1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2003-10-22 EP disclosed
US-20020143029-A1 Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity SMITHKLINE BEECHAM P.L.C. 2002-10-03 US disclosed
US-6410555-B1 ANTIEPILEPTIC AGENTS; HEADACHES SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US disclosed
EP-1084122-A1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2001-03-21 EP disclosed
WO-1999065903-A1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1999-12-23 WO 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 (1 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-20020143029-A1 Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity CNR1, SCN1B, CNR2 RAF1 2568/4885BRAF 3791/4885EGFR 2875/4885

“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.