SCHEMBL215040

SCHEMBL215040

CNC(=O)COc1ccc2[nH]c(NC(=O)c3c(C(N)=O)ncn3-c3ccc(C)cc3C)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ ROCK2 O75116 1/20 0.38
▸ NPC1 O15118 6/20 0.38
▸ RAB9A P51151 6/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ HCAR1 Q9BXC0 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ KLF5 Q13887 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ THRB P10828 1/20 0.33

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
SCHEMBL214443 0.91 MEN1 (0.38) MEN1KMT2AMAPTROCK2NPC1
SCHEMBL214560 0.89 MEN1 (0.42) MEN1KMT2AMAPTROCK2NPC1
SCHEMBL213493 0.89 ROCK2 (0.39) MEN1KMT2AMAPTROCK2NPC1
SCHEMBL214971 0.88 SMN1; SMN2 (0.41) MEN1KMT2AMAPTROCK2NPC1
SCHEMBL216052 0.87 MAPT (0.46) MEN1KMT2AMAPTROCK2NPC1
SCHEMBL213250 0.86 ROCK2 (0.40) MEN1KMT2AMAPTROCK2NPC1
SCHEMBL214814 0.84 CHEK2 (0.40) MEN1KMT2AROCK2TP53POLB
Hydrochloric Acid SCHEMBL215295 0.84 CHEK2 (0.40) MEN1KMT2AROCK2TP53POLB
SCHEMBL216399 0.83 LMNA (0.45) MEN1KMT2AROCK2SMN1; SMN2ALDH1A1
SCHEMBL216234 0.78 IRAK4 (0.44) MEN1KMT2AMAPTROCK2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 — — US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 — — US claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 — — US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 — — US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 — — EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 — — 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 MEN1 3504/4885KMT2A 437/4885MAPT 2138/4885

“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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