SCHEMBL215889

SCHEMBL215889

Nc1nc2cc(N3CCN(C(=O)O)CC3)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.43
ROCK2 O75116 7/20 0.43
PDE3B Q13370 3/20 0.42
PDE3A Q14432 3/20 0.42
ABL1 P00519 1/20 0.39
FABP6 P51161 1/20 0.39
C1S P09871 1/20 0.39
CHEK2 O96017 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CASP6 P55212 1/20 0.38
GFER P55789 1/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
KDR P35968 1/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MASP2 O00187 1/20 0.37
MEN1 O00255 1/20 0.37
NUDT1 P36639 1/20 0.37

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
SCHEMBL215559 0.82 MAPT (0.49) PDE3BPDE3AMAPTLMNAALDH1A1
SCHEMBL14487032 0.82 TERT (0.53) PDE3BPDE3AFABP6TP53MAPT
SCHEMBL1978855 0.81 KDM4E (0.54) MAPTGFERPDGFRBFGFR1KDR
SCHEMBL27938349 0.76 HTR2B (0.49) TP53MAPTLMNAALDH1A1
SCHEMBL2132057 0.74 IP6K1 (0.49) C1SALDH1A1MASP2MEN1NUDT1
SCHEMBL4115346 0.74 DRD3 (0.48) KDR
SCHEMBL16262848 0.73 PDE3B (0.48) CYP3A4ROCK2PDE3BPDE3AMAPT
SCHEMBL27074836 0.73 CYP3A4 (0.70) CYP3A4ROCK2
SCHEMBL10326022 0.72 CHEK2 (0.54) CHEK2MAPTLMNAMEN1KMT2A
SCHEMBL3721191 0.72 MAPK14 (0.46) CYP3A4ROCK2MAPTALDH1A1

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 CYP3A4 3666/4885ROCK2 27/4885PDE3B 1167/4885

“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.