SCHEMBL214403

SCHEMBL214403

Cc1ccc(N(Cc2nc3ccccc3[nH]2)C(=O)c2nc[nH]c2C(N)=O)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
PKM P14618 1/20 0.42
USP2 O75604 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NTRK1 P04629 1/20 0.38
PDK1 Q15118 1/20 0.38
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL217227 0.83 POLB (0.37) ALDH1A1RECQLSMN1; SMN2PKMUSP2
SCHEMBL215003 0.82 SMN1; SMN2 (0.37) ALDH1A1RECQLSMN1; SMN2PKMUSP2
SCHEMBL215700 0.78 SMN1; SMN2 (0.40) RECQLSMN1; SMN2PKMNPC1RAB9A
SCHEMBL216492 0.77 POLB (0.37) ALDH1A1RECQLSMN1; SMN2PKMUSP2
SCHEMBL213207 0.75 LMNA (0.48) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL216070 0.73 POLB (0.47) ALDH1A1RECQLSMN1; SMN2PKMNPC1
SCHEMBL213971 0.73 PAX8 (0.43) ALDH1A1RECQLSMN1; SMN2NPC1RAB9A
SCHEMBL215785 0.73 POLB (0.41) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL213394 0.73 POLB (0.48) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL214715 0.72 POLB (0.40) ALDH1A1SMN1; SMN2NPC1RAB9ATDP1

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 ALDH1A1 4295/4885RECQL 4093/4885SMN1; SMN2 2516/4885

“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.