SCHEMBL216429

SCHEMBL216429

NC(=O)c1[nH]cnc1C(=O)N(c1nc2ccccc2[nH]1)c1ccc(OCCCN2CCNCC2)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LTA4H P09960 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
DRD3 P35462 9/20 0.36
DRD2 P14416 8/20 0.35
CHEK2 O96017 1/20 0.35
AVPR1B P47901 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
PARP1 P09874 1/20 0.34

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
Hydrochloric Acid SCHEMBL214533 0.99 MEN1 (0.36) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL214317 0.82 LTA4H (0.41) LTA4HDRD3DRD2AVPR1BTRPV4
SCHEMBL214094 0.81 DRD3 (0.40) MEN1MAPTKMT2ASMN1; SMN2LTA4H
SCHEMBL213324 0.80 LTA4H (0.46) ALDH1A1LTA4HDRD3DRD2CHEK2
SCHEMBL216886 0.79 POLB (0.36) MEN1ALDH1A1MAPTKMT2APARP1
SCHEMBL215286 0.79 LTA4H (0.46) MEN1ALDH1A1KMT2ASMN1; SMN2LTA4H
SCHEMBL214453 0.76 ALDH1A1 (0.37) ALDH1A1MAPTCHEK2
Hydrochloric Acid SCHEMBL214494 0.76 ALDH1A1 (0.36) ALDH1A1MAPTCHEK2
SCHEMBL2735363 0.75 NPC1 (0.40) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL214644 0.75 MEN1 (0.39) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2

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 4 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 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 MEN1 3504/4885ALDH1A1 4295/4885MAPT 2138/4885

“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.