SCHEMBL2693049

SCHEMBL2693049

CC(=O)c1ccc(C(C)(C)C)cn1.CC(N)c1ccc(C(C)(C)C)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.39
▸ CACNA1I Q9P0X4 1/20 0.37
▸ SCN10A Q9Y5Y9 2/20 0.34
▸ IKBKB O14920 2/20 0.34
▸ KCNJ1 P48048 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ PDE2A O00408 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRA4 P48169 1/20 0.32
▸ GABRA6 Q16445 1/20 0.32
▸ APLNR P35414 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NFKB1 P19838 1/20 0.31

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
SCHEMBL2693246 0.84 PDE2A (0.36) CACNA1ISCN10APDE2ANPC1RAB9A
SCHEMBL9906446 0.84 KMT2A (0.46) KMT2AIKBKBKCNJ1ALDH1A1GABRA1
SCHEMBL2678960 0.73 KMT2A (0.68) KMT2AIKBKBALDH1A1GABRA1GABRG2
SCHEMBL23396319 0.72 KCNJ1 (0.41) KMT2AKCNJ1GABRA1GABRG2GABRB3
SCHEMBL2693052 0.71 CACNA1I (0.45) KMT2ACACNA1IPDE2ANPC1MAPT
SCHEMBL14946753 0.71 CACNA1I (0.42) KMT2ACACNA1ISCN10AALDH1A1APLNR
SCHEMBL3203433 0.71 P4HTM (0.53) KMT2AALDH1A1MAPTNFKB1SMN1; SMN2
SCHEMBL855236 0.70 CACNA1I (0.38) CACNA1IALDH1A1NPC1TP53NFKB1
SCHEMBL16472496 0.70 CHRM2 (0.52) KMT2ANPC1RAB9A
SCHEMBL22630752 0.70 KMT2A (0.44) KMT2AALDH1A1PDE2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168668-B2 Compounds ASTRAZENECA AB (SE) 2012-05-01 — — US disclosed
EP-1966156-B1 NEW COMPOUNDS III ASTRAZENECA AB (SE) 2011-12-21 — — EP disclosed
US-20100286202-A1 New Compounds ASTRAZENECA AB (SE) 2010-11-11 — — US disclosed
US-7618993-B2 Compounds ASTRAZENECA AB (SE) 2009-11-17 — — US disclosed
US-20080171770-A1 Compounds ASTRAZENECA AB (SE) 2008-07-17 — — 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 (2 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-20100286202-A1 New Compounds REN, PCSK9, FURIN KMT2A 4014/4885CACNA1I 1281/4885SCN10A 1146/4885
US-20080171770-A1 Compounds REN, PCSK9, SLC10A1 KMT2A 4011/4885CACNA1I 1129/4885SCN10A 1316/4885

“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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