SCHEMBL214721

SCHEMBL214721

Cc1nc(NC(=O)c2[nH]cnc2C(=O)Nc2c(Cl)cccc2Cl)[nH]c1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
GAA P10253 3/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NTSR1 P30989 2/20 0.40
MAPK1 P28482 1/20 0.40
MAPK10 P53779 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL216013 0.93 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL2735344 0.82 NPC1 (0.52) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL2735316 0.81 KMT2A (0.53) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL2759975 0.80 SMN1; SMN2 (0.50) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL214016 0.80 MAOB (0.57) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL2735356 0.79 IRAK4 (0.50) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL216639 0.79 MAPT (0.46) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL213885 0.76 GAA (0.48) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL2735347 0.76 NPC1 (0.53) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL214581 0.74 TOP2A (0.43) ALDH1A1KMT2AMEN1MAPTKDM4E

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 disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
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
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US 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 ALDH1A1 4295/4885KMT2A 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.