SCHEMBL214042

SCHEMBL214042

COc1ccc(Cl)c(NC(=O)c2ncn(-c3nc4ccccc4[nH]3)c2C(N)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PKM P14618 2/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
PRMT5 O14744 1/20 0.40
FPR2 P25090 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
STK33 Q9BYT3 2/20 0.40
NTRK1 P04629 1/20 0.40
NTRK2 Q16620 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL214139 0.91 MAPT (0.49) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL214763 0.91 NTRK1 (0.49) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL213393 0.90 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL216093 0.89 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL215203 0.89 STK33 (0.40) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL214646 0.86 EPHB3 (0.44) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL216561 0.86 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL216364 0.85 NTRK1 (0.49) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL213500 0.85 NTRK1 (0.50) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL214450 0.82 LMNA (0.54) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1

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 7 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
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 MAPT 2138/4885SMN1; SMN2 2516/4885ALDH1A1 4295/4885

“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.