SCHEMBL215580

SCHEMBL215580

Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2cc(OCCN3CCN(C(=O)O)CC3)ccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 12/20 0.38
DRD2 P14416 6/20 0.38
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
KCNA5 P22460 1/20 0.35
MEN1 O00255 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL216099 0.94 MAPT (0.39) DRD3DRD2MAPTKMT2AKDM4E
SCHEMBL213711 0.92 ALDH1A1 (0.38) DRD3DRD2MAPTKMT2AKDM4E
SCHEMBL214594 0.91 ATM (0.41) MAPTKMT2APDE3BPDE3AMEN1
Hydrochloric Acid SCHEMBL213385 0.91 MAPT (0.38) DRD3DRD2MAPTKMT2AKDM4E
SCHEMBL213821 0.90 HRH4 (0.42) DRD3DRD2MAPTKMT2AKDM4E
SCHEMBL213244 0.90 ALDH1A1 (0.38) DRD2MAPTKMT2AKDM4EALDH1A1
SCHEMBL213924 0.90 ALDH1A1 (0.40) MAPTKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL213685 0.88 ALDH1A1 (0.38) MAPTKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL216125 0.88 ATM (0.41) MAPTKMT2APDE3BPDE3AMEN1
SCHEMBL215366 0.88 LMNA (0.43) MAPTKMT2AKDM4EALDH1A1SMN1; 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 2 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

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 DRD3 4551/4885DRD2 3081/4885MAPT 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.