SCHEMBL5481432

SCHEMBL5481432

Cc1cnc(NCC2CCN(CC(=O)N(C)C)CC2)nc1C(C#N)=C1Nc2ccccc2O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ VNN1 O95497 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ GRIN2B Q13224 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ INSR P06213 2/20 0.32
▸ ALK Q9UM73 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ PTK2 Q05397 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.31

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
SCHEMBL5481427 1.00 MAP3K14 (0.34) MAP3K14PIM1VNN1IGF1RKCNH2
SCHEMBL8294128 0.87 CYP11B2 (0.40) VNN1GRIN2BJAK2JAK3MAPK1
SCHEMBL5483833 0.87 CYP11B2 (0.40) VNN1GRIN2BJAK2JAK3MAPK1
SCHEMBL5483836 0.87 CYP11B2 (0.40) VNN1GRIN2BJAK2JAK3MAPK1
SCHEMBL5473023 0.87 MAP3K14 (0.38) MAP3K14PIM1GRIN2BADRA1DADRA1A
SCHEMBL5473021 0.87 MAP3K14 (0.38) MAP3K14PIM1GRIN2BADRA1DADRA1A
SCHEMBL5479121 0.84 KHK (0.37) VNN1IGF1RRIPK2
SCHEMBL5479125 0.84 KHK (0.37) VNN1IGF1RRIPK2
SCHEMBL5477796 0.83 GRIN2B (0.41) GRIN2BKDM4EJAK2
SCHEMBL14431020 0.83 GRIN2B (0.41) GRIN2BKDM4EJAK2

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-20070185104-A1 Benzoxazole acetonitriles APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-08-09 — — US claimed
US-20070185104-A1 Benzoxazole acetonitriles APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-08-09 — — 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-20070185104-A1 Benzoxazole acetonitriles PKD1, PC, GPR119 MAP3K14 2826/4885PIM1 1496/4885VNN1 3960/4885

“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.

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