SCHEMBL214113

SCHEMBL214113

NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(=O)Nc1ccc(F)cc1OCCN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
AKT1 P31749 3/20 0.40
LTA4H P09960 1/20 0.40
HTR2A P28223 5/20 0.38
HTR2C P28335 2/20 0.38
BTK Q06187 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
TSHR P16473 1/20 0.38
BCL3 P20749 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 1/20 0.38
KCNH2 Q12809 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 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
SCHEMBL215285 0.81 LTA4H (0.46) LTA4HKDM4EHSD17B10GAANPC1
SCHEMBL213323 0.80 LTA4H (0.46) LTA4HTSHRKDM4EHSD17B10NPC1
SCHEMBL215065 0.79 MAPT (0.57) KDM4EALDH1A1TP53
SCHEMBL214316 0.78 BTK (0.42) LTA4HBTKKDM4EHSD17B10GAA
SCHEMBL214114 0.77 DDR2 (0.43) DDR2RXFP1AKT1LTA4HTSHR
SCHEMBL214739 0.76 KMT2A (0.48) KDM4EGAANPC1ALDH1A1TP53
SCHEMBL216607 0.76 TSHR (0.51) TSHRKDM4EHSD17B10GAANPC1
SCHEMBL216182 0.75 DRD3 (0.41) LTA4H
SCHEMBL214557 0.74 LCK (0.40) HTR2C
Hydrochloric Acid SCHEMBL215262 0.74 ITGB3 (0.41) LTA4H

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 DDR2 469/4885RXFP1 4143/4885AKT1 456/4885

“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.