SCHEMBL213821

SCHEMBL213821

Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2cc(OCCCN3CCN(C)CC3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.42
DRD3 P35462 2/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37
DRD2 P14416 1/20 0.35
TP53 P04637 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
AVPR1B P47901 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 0.96 MAPT (0.39) HRH4DRD3RAB9AMAPTSMN1; SMN2
SCHEMBL213244 0.95 ALDH1A1 (0.38) HRH4MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL213924 0.95 ALDH1A1 (0.40) HRH4MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL213685 0.94 ALDH1A1 (0.38) HRH4MAPTSMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL213175 0.93 ITGB3 (0.38) HRH4MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL214630 0.93 HRH3 (0.40) MAPTSMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL216125 0.91 ATM (0.41) HRH4MAPTKMT2A
SCHEMBL215580 0.90 DRD3 (0.38) DRD3MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL213711 0.90 ALDH1A1 (0.38) DRD3MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL3327359 0.90 LMNA (0.43) HRH4MAPTSMN1; SMN2KDM4EALDH1A1

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 8 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-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 HRH4 1909/4885DRD3 4551/4885RAB9A 2213/4885

“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.