SCHEMBL214638

SCHEMBL214638

COc1cccc2[nH]c(N(C(=O)c3nc[nH]c3C(N)=O)c3cc(Br)ccc3C)nc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 9/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ MAOB P27338 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ PARP2 Q9UGN5 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HPSE Q9Y251 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ TNKS O95271 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL215894 0.85 POLB (0.36) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL4104869 0.81 — —
SCHEMBL214752 0.80 BTK (0.32) PARP1KMT2AKDM4E
SCHEMBL216287 0.80 CHEK2 (0.35) PARP1MEN1KMT2AALDH1A1HPGD
SCHEMBL213661 0.78 TOP2A (0.33) —
SCHEMBL214140 0.78 POLB (0.48) MEN1KMT2AALDH1A1SMN1; SMN2RXFP1
SCHEMBL214338 0.76 POLB (0.36) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL216492 0.76 POLB (0.37) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL213499 0.75 POLB (0.42) PARP1MEN1KMT2AALDH1A1HPGD
SCHEMBL215675 0.75 POLB (0.44) PARP1MEN1KMT2AALDH1A1HPGD

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 8 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
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 — — EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 — — WO 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 PARP1 3502/4885MEN1 3504/4885KMT2A 437/4885

“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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