SCHEMBL6805375

SCHEMBL6805375

CCc1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3(C)C)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 0.40
DDR1 Q08345 11/20 0.40
DDR2 Q16832 11/20 0.40
LCK P06239 1/20 0.39
MAPK14 Q16539 1/20 0.39
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
ROCK2 O75116 3/20 0.36
BCR P11274 1/20 0.36
KIT P10721 1/20 0.36

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
Hydrochloric Acid SCHEMBL6916171 0.99 ABL1 (0.39) ABL1DDR1DDR2LCKMAPK14
SCHEMBL6806470 0.89 MAPT (0.44) KCNQ3KCNQ2
Hydrochloric Acid SCHEMBL6805534 0.88 MAPT (0.43) KCNQ3KCNQ2
SCHEMBL6806888 0.87 ROCK2 (0.38) ABL1DDR1DDR2LCKKCNQ3
SCHEMBL6802170 0.87 MAPT (0.42) ABL1DDR1DDR2LCKMAPK14
SCHEMBL6805984 0.86 CSF1R (0.44) ROCK2
Hydrochloric Acid SCHEMBL6806393 0.86 ROCK2 (0.37) ABL1DDR1DDR2LCKKCNQ3
Hydrochloric Acid SCHEMBL6810718 0.86 MAPT (0.41) ABL1DDR1DDR2LCKMAPK14
SCHEMBL6810117 0.86 LCK (0.42) ABL1DDR1DDR2LCKMAPK14
Hydrochloric Acid SCHEMBL6807637 0.86 CSF1R (0.43) ROCK2

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 7 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
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

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 ABL1 3752/4885DDR1 3206/4885DDR2 2363/4885

“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.