SCHEMBL2473849

SCHEMBL2473849

CN1CCN(c2ncnc3c(-c4ccc(O)cc4)csc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ MAPT P10636 1/20 0.48
▸ HRH4 Q9H3N8 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ GPR119 Q8TDV5 4/20 0.46
▸ FYN P06241 1/20 0.45
▸ CYP3A4 P08684 3/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPK1 P28482 4/20 0.42
▸ MET P08581 1/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ADORA1 P30542 1/20 0.41
▸ USP2 O75604 1/20 0.41

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
SCHEMBL2476480 0.76 PKM (0.55) KMT2AMAPTHRH4NPC1PKM
SCHEMBL12506016 0.74 GPR119 (0.66) NPC1PKMGPR119CYP3A4CYP2C19
SCHEMBL12505994 0.73 GPR119 (0.67) NPC1PKMGPR119CYP3A4CYP2C19
SCHEMBL13285087 0.73 NPC1 (0.41) KMT2AMEN1MAPTHRH4NPC1
SCHEMBL23579855 0.71 GPR119 (0.48) NPC1PKMGPR119FYNCYP3A4
SCHEMBL30034822 0.71 GPR119 (0.48) NPC1PKMGPR119FYNCYP3A4
SCHEMBL12506052 0.69 GPR119 (0.70) GPR119CYP3A4CYP2C19CYP2C9
SCHEMBL2477392 0.68 MAPK1 (0.41) KMT2AMEN1MAPTGPR119MAPK1
SCHEMBL4774363 0.68 ADORA1 (0.43) KMT2AMEN1HRH4FYNALDH1A1
SCHEMBL4773680 0.64 CSNK2A2 (0.46) KMT2AMEN1MAPTHRH4FYN

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-2373163-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-06-10 — — EP disclosed
EP-2373163-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-06-10 — — EP disclosed
CN-102316733-B Heterocyclic compounds and methods of use GENENTECH INC 2014-01-01 — — CN disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 — — US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 — — US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 — — US disclosed
EP-2373163-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-10-12 — — EP disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 — — US disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 — — US disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 — — US disclosed
WO-2010080503-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 — — 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-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BCL2A1, BAX, BCL2 KMT2A 1696/4885MEN1 833/4885MAPT 4846/4885

“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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