SCHEMBL213719

SCHEMBL213719

NC(=O)c1c(C(=O)NCc2ccccc2Cl)ncn1-c1nc2ccccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CNR2 P34972 2/20 0.42
CNR1 P21554 1/20 0.42
TP53 P04637 6/20 0.42
CASP6 P55212 1/20 0.42
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
SLC40A1 Q9NP59 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 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
SCHEMBL213970 0.86 SMN1; SMN2 (0.48) ALDH1A1RAB9ATP53KMT2AGAA
SCHEMBL216143 0.86 NPC1 (0.49) ALDH1A1NPC1RAB9ATP53KMT2A
SCHEMBL215002 0.84 PIK3CD (0.43) ALDH1A1NPC1RAB9ATP53KMT2A
SCHEMBL213583 0.84 SLC40A1 (0.48) ALDH1A1SLC40A1
SCHEMBL214976 0.83 LCK (0.44) ALDH1A1NPC1RAB9ATP53KMT2A
SCHEMBL214646 0.83 EPHB3 (0.44) ALDH1A1KMT2ACYP3A4TSHRMAPT
SCHEMBL215699 0.83 MAPT (0.43) TP53KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL213712 0.81 MAPT (0.46) ALDH1A1NPC1RAB9ATP53KMT2A
SCHEMBL213851 0.81 L3MBTL1 (0.46) ALDH1A1NPC1RAB9ATP53KMT2A
SCHEMBL214872 0.80 MAPT (0.42) ALDH1A1NPC1RAB9ATP53KMT2A

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-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 ALDH1A1 4295/4885NPC1 3307/4885RAB9A 2213/4885

“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.