SCHEMBL14804157

SCHEMBL14804157

Cc1ccc(Nc2ncc(COc3cnc(N)nc3)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ RAB9A P51151 4/20 0.46
▸ KCNH2 Q12809 1/20 0.43
▸ SCN5A Q14524 1/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ FFAR1 O14842 2/20 0.41
▸ FFAR4 Q5NUL3 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ AURKA O14965 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CCNA2 P20248 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
SCHEMBL14800724 0.82 ROCK1 (0.48) MAPTMEN1LMNAKMT2A
SCHEMBL14804144 0.75 HDAC3 (0.42) MAPTMEN1LMNAKMT2AHDAC3
SCHEMBL15145210 0.71 KMT2A (0.48) MAPTMEN1LMNAKMT2ARAB9A
SCHEMBL18590747 0.71 HDAC3 (0.61) RAB9AKCNH2SCN5ASCN9AHDAC3
SCHEMBL14800567 0.68 AURKA (0.48) MAPTMEN1LMNAKMT2AHDAC3
SCHEMBL12156756 0.67 HDAC3 (0.60) RAB9AKCNH2SCN5ASCN9AHDAC3
SCHEMBL504815 0.67 MAOB (0.60) MAPTLMNARAB9AHDAC6SMN1; SMN2
SCHEMBL31460972 0.66 F9 (0.46) RAB9AHDAC3HDAC1HDAC2HDAC6
SCHEMBL14379768 0.66 CTSV (0.53) LMNAHDAC6
SCHEMBL8737849 0.65 AR (0.65) MAPTMEN1LMNAKMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841301-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-23 — — US disclosed
US-20130079338-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 — — 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-20130079338-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A MAPT 1080/4885MEN1 4539/4885LMNA 3869/4885

“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.

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