SCHEMBL214453

SCHEMBL214453

Cc1cc(N2CCNCC2)ccc1N(C(=O)c1nc[nH]c1C(N)=O)c1nc2ccccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTR1A P08908 1/20 0.36
ADRA2C P18825 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
HTR3A P46098 1/20 0.35
PIM1 P11309 2/20 0.34
PIM3 Q86V86 2/20 0.34
PIM2 Q9P1W9 1/20 0.34
PTGS2 P35354 1/20 0.33
ADRB1 P08588 1/20 0.33
ACVR1 Q04771 1/20 0.33
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33
KDR P35968 1/20 0.33
JAK2 O60674 1/20 0.33
MAP2 P11137 1/20 0.33
POLB P06746 1/20 0.33

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 SCHEMBL214494 0.99 ALDH1A1 (0.36) ALDH1A1LMNAMAPTHTR1AADRA2C
SCHEMBL214367 0.91 FAAH (0.40) MAPTHTR1AADRA2CDRD4HTR2A
SCHEMBL214964 0.91 DRD4 (0.39) ALDH1A1LMNAMAPTHTR1AADRA2C
SCHEMBL214206 0.88 HTR1A (0.37) ALDH1A1LMNAMAPTHTR1AADRA2C
SCHEMBL216124 0.88 PTGDR (0.40) LMNAMAPTHTR1AADRA2CDRD4
SCHEMBL215214 0.87 KDM4E (0.41) ALDH1A1LMNAMAPTPOLBKDM4E
SCHEMBL217227 0.85 POLB (0.37) ALDH1A1LMNAMAPTPOLBKDM4E
SCHEMBL215755 0.83 CHEK2 (0.39) POLBCHEK2
SCHEMBL214715 0.83 POLB (0.40) ALDH1A1LMNAFGFR1POLBKDM4E
Hydrochloric Acid SCHEMBL213649 0.82 CHEK2 (0.38) POLBCHEK2

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 ALDH1A1 4295/4885LMNA 4821/4885MAPT 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.