SCHEMBL1935256

SCHEMBL1935256

CN(c1nc(Cl)ncc1Cl)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 9/20 0.33
JAK2 O60674 5/20 0.33
JAK3 P52333 5/20 0.33
DYRK1A Q13627 1/20 0.33
LRRK2 Q5S007 2/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
CCNE2 O96020 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL26793851 0.80 KDM4E (0.41) JAK1JAK3KMT2AMEN1
SCHEMBL4489580 0.78 KMT2A (0.44) JAK1JAK2JAK3LRRK2KMT2A
SCHEMBL13812808 0.78 JAK3 (0.47) JAK1JAK2JAK3LRRK2KMT2A
SCHEMBL4071078 0.77 JAK3 (0.38) JAK1JAK2JAK3LRRK2KMT2A
SCHEMBL6465219 0.77 GLP1R (0.34) KMT2AMEN1
SCHEMBL17687627 0.74 SMO (0.45) JAK1JAK2JAK3CDK2
SCHEMBL17112843 0.74 JAK1 (0.48) JAK1JAK2JAK3
SCHEMBL17687610 0.74 JAK2 (0.39) JAK1JAK2JAK3
SCHEMBL1919074 0.72 PIN1 (0.38) JAK1JAK2
SCHEMBL1919070 0.72 PIN1 (0.38) JAK1JAK2

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 7 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
US-20110245249-A1 Heterocyclically Substituted Anilinopyrimidines BAYER CROPSCIENCE AG (DE) 2011-10-06 US disclosed
US-20110245284-A1 Alkoxy- and Alkylthio-Substituted Anilinopyrimidines 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
EP-2331533-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
WO-2010025850-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO 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 (3 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-20110245284-A1 Alkoxy- and Alkylthio-Substituted Anilinopyrimidines HAX1, AGPS, PYM1 JAK1 625/4885JAK2 1279/4885JAK3 1295/4885
US-20110245249-A1 Heterocyclically Substituted Anilinopyrimidines POLL, H1-2, H1-0 JAK1 262/4885JAK2 384/4885JAK3 1001/4885
US-20110245242-A1 Heterocyclically Substituted Anilinopyrimides H1-10, POLL, PPM1D JAK1 142/4885JAK2 220/4885JAK3 587/4885

“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.