SCHEMBL213795

SCHEMBL213795

CCOc1ccccc1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.49
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.45
TSHR P16473 4/20 0.45
POLB P06746 3/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.42
AHR P35869 1/20 0.42
PTK2 Q05397 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
SCHEMBL214872 0.88 MAPT (0.42) HSD17B10KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL216096 0.86 ATR (0.43) HSD17B10MAPTHTTLMNA
SCHEMBL214714 0.86 MAPT (0.44) HSD17B10KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL215043 0.85 KDM4E (0.38) HSD17B10ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL216074 0.85 KDM4E (0.43) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL214164 0.84 ALDH1A1 (0.38) HSD17B10ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL214646 0.84 EPHB3 (0.44) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL215595 0.83 ALDH1A1 (0.46) HSD17B10KMT2AMEN1ALDH1A1HPGD
SCHEMBL214272 0.83 KDM4E (0.39) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL213503 0.83 STK33 (0.39) KMT2AMEN1ALDH1A1HPGDSMN1; 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 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 HSD17B10 3514/4885KMT2A 437/4885MEN1 3504/4885

“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.