SCHEMBL4191377

SCHEMBL4191377

Cc1cnc(Cl)c(C(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.44
BTK Q06187 3/20 0.41
JAK3 P52333 1/20 0.41
PBK Q96KB5 1/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40
SSTR4 P31391 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
MERTK Q12866 1/20 0.40
KDR P35968 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
JAK1 P23458 1/20 0.40

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
SCHEMBL8297689 1.00 CRHR1 (0.44) CRHR1BTKJAK3PBKKDM1A
SCHEMBL4186405 0.89 CRHR1 (0.52) CRHR1BTKJAK3PBKKDM1A
SCHEMBL8297682 0.89 CRHR1 (0.52) CRHR1BTKJAK3PBKKDM1A
SCHEMBL8353152 0.87 HPGD (0.44) CRHR1BTKJAK3PBKKDM1A
SCHEMBL5840688 0.87 HPGD (0.44) CRHR1BTKJAK3PBKKDM1A
SCHEMBL4191215 0.87 HPGD (0.44) CRHR1BTKJAK3PBKKDM1A
SCHEMBL21161737 0.81 HPGD (0.46) BTKPBKKDM1AMAOBKMT2A
SCHEMBL30751129 0.81 HPGD (0.46) BTKPBKKDM1AMAOBKMT2A
SCHEMBL4180056 0.80 POLB (0.50) BTKPBKKDM1AMAOBPOLB
SCHEMBL13929047 0.80 POLB (0.50) BTKPBKKDM1AMAOBPOLB

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-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
EP-1651641-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-05-23 EP disclosed
EP-1651640-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-02-14 EP disclosed
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors BARBER CHRISTOPHER G 2006-08-10 US disclosed
US-7056934-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC (US) 2006-06-06 US disclosed
US-20050043326-A1 Compounds PFIZER INC 2005-02-24 US disclosed
US-20050038033-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2005-02-17 US disclosed
US-20050020611-A1 Compounds PFIZER INC. 2005-01-27 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 (5 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-20050020611-A1 Compounds NQO1, NAMPT, NNT CRHR1 2864/4885BTK 3756/4885JAK3 4612/4885
US-20050038033-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C CRHR1 3998/4885BTK 3672/4885JAK3 3670/4885
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors PDE4A, PDE4B, PDE4C CRHR1 4175/4885BTK 3477/4885JAK3 3789/4885
US-20090035313-A1 Compounds NQO1, NAMPT, NNT CRHR1 2864/4885BTK 3756/4885JAK3 4612/4885
US-20050043326-A1 Compounds NQO1, NAMPT, NNT CRHR1 2864/4885BTK 3756/4885JAK3 4612/4885

“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.