SCHEMBL215644

SCHEMBL215644

NC(=O)c1c(C(=O)Nc2cccc3ccccc23)ncn1-c1nc2ccccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PAX8 Q06710 1/20 0.39
RECQL P46063 1/20 0.38

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 0.87 MAPT (0.44) KDM4EGAAMAPTALDH1A1L3MBTL1
SCHEMBL214646 0.87 EPHB3 (0.44) KDM4EMAPTALDH1A1CYP3A4LMNA
SCHEMBL215595 0.87 ALDH1A1 (0.46) KDM4EMAPTALDH1A1RAB9ANPC1
SCHEMBL214872 0.85 MAPT (0.42) KDM4EMAPTALDH1A1RAB9ANPC1
SCHEMBL214789 0.85 KDM4E (0.47) KDM4EGAAALDH1A1L3MBTL1POLB
SCHEMBL214450 0.85 LMNA (0.54) KDM4EMAPTALDH1A1RAB9ANPC1
SCHEMBL213503 0.85 STK33 (0.39) KDM4EMAPTALDH1A1L3MBTL1RAB9A
SCHEMBL214272 0.85 KDM4E (0.39) KDM4EMAPTALDH1A1L3MBTL1RAB9A
SCHEMBL216074 0.85 KDM4E (0.43) KDM4EMAPTALDH1A1RAB9ANPC1
SCHEMBL214784 0.85 CYP3A4 (0.39) MAPTRAB9ANPC1CYP3A4LMNA

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
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

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 KDM4E 952/4885GAA 2375/4885MAPT 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.