SCHEMBL1937571

SCHEMBL1937571

S=C1CCCN1c1cccc(Nc2ncc(Cl)c(NC3CC3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.47
INSR P06213 1/20 0.47
CTSC P53634 1/20 0.46
SYK P43405 8/20 0.46
BRD4 O60885 5/20 0.45
PKMYT1 Q99640 1/20 0.43
NTRK1 P04629 2/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
NTRK3 Q16288 1/20 0.43
NTRK2 Q16620 1/20 0.43

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
SCHEMBL1936552 0.89 SYK (0.55) ALKINSRCTSCSYKBRD4
SCHEMBL2510547 0.79 CAMK1D (0.47) ALKINSRCTSCSYKBRD4
SCHEMBL764400 0.77 SYK (0.72) SYK
SCHEMBL2511992 0.77 CTSC (0.52) ALKINSRCTSCSYKBRD4
SCHEMBL3136804 0.76 JAK2 (0.65) ALKINSRCTSCSYKNTRK1
SCHEMBL1936571 0.76 ULK1 (0.58) SYK
SCHEMBL1937742 0.74 CTSC (0.49) ALKINSRCTSCSYKBRD4
SCHEMBL1937791 0.73 CTSC (0.53) ALKINSRCTSCSYKNTRK1
SCHEMBL1937612 0.73 ALK (0.45) ALKINSRCTSCSYKBRD4
SCHEMBL3242576 0.73 CTSC (0.48) ALKINSRCTSCSYKBRD4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245242-A1 Heterocyclically Substituted Anilinopyrimides BAYER CROPSCIENCE AG (DE) 2011-10-06 US disclosed
EP-2331524-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
WO-2010025831-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 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-20110245242-A1 Heterocyclically Substituted Anilinopyrimides H1-10, POLL, PPM1D ALK 789/4885INSR 3223/4885CTSC 3292/4885

“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.