SCHEMBL4198325

SCHEMBL4198325

CCC(C)c1c(Cl)nc(-n2cc(Cl)cn2)nc1NCC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
IDH1 O75874 1/20 0.35
IDH2 P48735 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.31
IRAK1 P51617 1/20 0.31
PDE10A Q9Y233 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
SCHEMBL4202692 0.83 ADORA2A (0.39) SMN1; SMN2KDM4EALDH1A1HPGDMAPT
SCHEMBL4199549 0.74 ADORA2A (0.39) SMN1; SMN2KDM4EALDH1A1HPGDMAPT
SCHEMBL4192282 0.72 ADORA2A (0.39) SMN1; SMN2KDM4EALDH1A1HPGDMAPT
SCHEMBL4185762 0.72
SCHEMBL4194799 0.72 CA1 (0.31) SMN1; SMN2HTT
SCHEMBL4189572 0.72 ADORA2A (0.41) SMN1; SMN2KDM4EALDH1A1HPGDMAPT
SCHEMBL4199543 0.72 ADORA2A (0.39) SMN1; SMN2KDM4EALDH1A1HPGDMAPT
SCHEMBL4953687 0.70 ADORA2A (0.38)
SCHEMBL4199532 0.70 ADORA2A (0.38)
SCHEMBL4195166 0.70 GLP1R (0.31)

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-20090042917-A1 Aminopyrimidine Derivative and Plant Disease Control Agent for Agricultural or Horticultural Use KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2009-02-12 US disclosed
EP-2006288-A1 AMINOPYRIDINE DERIVATIVE AND PLANT DISEASE CONTROL AGENT FOR AGRICULTURAL OR HORTICULTURAL USE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2008-12-24 EP 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-20090042917-A1 Aminopyrimidine Derivative and Plant Disease Control Agent for Agricultural or Horticultural Use DPYD, PM20D2, PDCD11 SMN1; SMN2 3171/4885IDH1 174/4885IDH2 231/4885

“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.