SCHEMBL216099

SCHEMBL216099

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 1/20 0.39
HRH4 Q9H3N8 3/20 0.38
KCNA5 P22460 1/20 0.38
GAA P10253 2/20 0.37
DRD3 P35462 3/20 0.36
DRD2 P14416 1/20 0.36
HTR1B P28222 1/20 0.36
NR1I2 O75469 1/20 0.36
TP53 P04637 1/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
PDGFRB P09619 1/20 0.35
FLT3 P36888 1/20 0.35
KDR P35968 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
SCHEMBL213821 0.96 HRH4 (0.42) MAPTALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL215580 0.94 DRD3 (0.38) MAPTALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL213711 0.94 ALDH1A1 (0.38) MAPTALDH1A1SMN1; SMN2KDM4EKMT2A
Hydrochloric Acid SCHEMBL213385 0.93 MAPT (0.38) MAPTALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL213244 0.92 ALDH1A1 (0.38) MAPTALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL213924 0.91 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL214594 0.91 ATM (0.41) MAPTKMT2A
SCHEMBL213685 0.90 ALDH1A1 (0.38) MAPTALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL215366 0.90 LMNA (0.43) MAPTALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL214630 0.90 HRH3 (0.40) MAPTALDH1A1SMN1; SMN2KDM4EKMT2A

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
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO 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 MAPT 2138/4885ALDH1A1 4295/4885SMN1; SMN2 2516/4885

“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.