SCHEMBL214391

SCHEMBL214391

CN1CCN(c2ccc3nc(NC(=O)c4c(C(N)=O)ncn4-c4c(Cl)cccc4Cl)[nH]c3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 1/20 0.45
PDGFRB P09619 2/20 0.44
FGFR1 P11362 2/20 0.44
KDR P35968 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
KCNH2 Q12809 2/20 0.43
CSF1R P07333 2/20 0.43
BRD4 O60885 3/20 0.42
TOP1 P11387 2/20 0.42
TOP2A P11388 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
WEE1 P30291 2/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
CHEK2 O96017 2/20 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
SCHEMBL215459 0.81 CHEK2 (0.46) PDGFRBFGFR1KDRSMN1; SMN2KDM4E
SCHEMBL214859 0.80 CHEK2 (0.47) PDGFRBKDRKDM4EPOLBCHEK2
SCHEMBL216298 0.79 HRH4 (0.43) HRH4
SCHEMBL213579 0.78 LMNA (0.43) KDRSMN1; SMN2WEE1CHEK2
SCHEMBL214479 0.78 HRH4 (0.41) RPS6KA2HRH4KCNH2CHEK2
SCHEMBL214920 0.76 MAPK14 (0.42) KCNH2
SCHEMBL214392 0.76 RPS6KA2 (0.46) RPS6KA2PDGFRBFGFR1KDRHRH4
SCHEMBL214720 0.76 HCAR1 (0.35) KDRALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL214296 0.75 CHEK2 (0.43) ALDH1A1SMN1; SMN2KDM4ECHEK2
SCHEMBL216764 0.74 KCNH2 (0.40) RPS6KA2KCNH2BRD4KDM4ERAB9A

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
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 RPS6KA2 268/4885PDGFRB 228/4885FGFR1 708/4885

“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.