SCHEMBL214392

SCHEMBL214392

CN1CCN(c2ccc3nc(NC(=O)c4[nH]cnc4C(=O)Nc4c(Cl)cccc4Cl)[nH]c3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
KCNH2 Q12809 2/20 0.45
FGFR1 P11362 3/20 0.44
PDGFRB P09619 2/20 0.44
KDR P35968 2/20 0.44
BRD4 O60885 5/20 0.43
CDK11A Q9UQ88 1/20 0.42
CSF1R P07333 1/20 0.40
LCK P06239 1/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
TOP1 P11387 2/20 0.39
TOP2A P11388 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL2735450 0.85 HRH4 (0.50) RPS6KA2HRH4KCNH2FGFR1PDGFRB
SCHEMBL2735356 0.83 IRAK4 (0.50) HRH4ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL2735344 0.80 NPC1 (0.52) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL215460 0.80 LMNA (0.46) FGFR1PDGFRBKDRSMN1; SMN2KDM4E
SCHEMBL214860 0.79 LMNA (0.45) PDGFRBKDRSMN1; SMN2KDM4EPOLB
SCHEMBL2735389 0.79 LMNA (0.45) FGFR1ALDH1A1SMN1; SMN2KDM4EFLT1
SCHEMBL216299 0.78 HRH4 (0.44) RPS6KA2HRH4KCNH2BRD4KDM4E
SCHEMBL2735357 0.78 IRAK4 (0.46) HRH4ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL214480 0.77 HRH4 (0.42) RPS6KA2HRH4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2735336 0.76 KCNH2 (0.42) RPS6KA2KCNH2KDRCSF1RALDH1A1

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 10 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-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
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 268/4885HRH4 1909/4885KCNH2 2774/4885

“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.