SCHEMBL213503

SCHEMBL213503

Cc1ncccc1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK33 Q9BYT3 2/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
ATR Q13535 1/20 0.38
LMNA P02545 3/20 0.37
CYP3A4 P08684 2/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PARP1 P09874 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL214714 0.89 MAPT (0.44) KDM4EALDH1A1ATRLMNACYP3A4
SCHEMBL215595 0.87 ALDH1A1 (0.46) KDM4EALDH1A1LMNACYP3A4MEN1
SCHEMBL213329 0.86 KMT2A (0.41) STK33KDM4EALDH1A1LMNACYP3A4
SCHEMBL214872 0.86 MAPT (0.42) KDM4EALDH1A1LMNACYP3A4KMT2A
SCHEMBL214646 0.85 EPHB3 (0.44) STK33KDM4EALDH1A1LMNACYP3A4
SCHEMBL214450 0.85 LMNA (0.54) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL216732 0.85 GSK3B (0.40) STK33KDM4EALDH1A1ATRLMNA
SCHEMBL214272 0.85 KDM4E (0.39) STK33KDM4EALDH1A1LMNACYP3A4
SCHEMBL216074 0.85 KDM4E (0.43) KDM4EALDH1A1LMNACYP3A4MEN1
SCHEMBL217226 0.85 MEN1 (0.48) KDM4EALDH1A1LMNACYP3A4MEN1

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 STK33 731/4885KDM4E 952/4885ALDH1A1 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.