SCHEMBL6805984

SCHEMBL6805984

COc1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3(C)C)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.44
ROCK2 O75116 4/20 0.43
RORC P51449 10/20 0.42
CYP3A4 P08684 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
VNN1 O95497 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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 SCHEMBL6807637 0.99 CSF1R (0.43) CSF1RROCK2RORCCYP3A4NPC1
SCHEMBL6806527 0.92 XDH (0.43) ROCK2RORC
SCHEMBL6806470 0.91 MAPT (0.44) CYP3A4NPC1POLB
Hydrochloric Acid SCHEMBL6806410 0.91 XDH (0.42) ROCK2RORC
Hydrochloric Acid SCHEMBL6805534 0.91 MAPT (0.43) CYP3A4NPC1POLB
SCHEMBL6806932 0.87 KMT2A (0.49) ROCK2CYP3A4NPC1POLBRAB9A
SCHEMBL6805375 0.86 ABL1 (0.40) ROCK2
SCHEMBL6806888 0.86 ROCK2 (0.38) ROCK2RAB9A
SCHEMBL6805130 0.86 KCNQ3 (0.54) ROCK2CYP3A4NPC1POLBRAB9A
Hydrochloric Acid SCHEMBL6809944 0.86 KMT2A (0.48) ROCK2CYP3A4NPC1POLBRAB9A

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 CSF1R 3157/4885ROCK2 4294/4885RORC 1567/4885

“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.