SCHEMBL2511992

SCHEMBL2511992

Clc1cnc(Nc2cccc(I)c2)nc1NC1CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 7/20 0.52
JAK2 O60674 3/20 0.47
LRRK2 Q5S007 1/20 0.47
JAK1 P23458 2/20 0.46
JAK3 P52333 2/20 0.46
ALK Q9UM73 2/20 0.46
INSR P06213 1/20 0.46
SYK P43405 4/20 0.46
BRD4 O60885 1/20 0.45
ULK1 O75385 3/20 0.44
ULK2 Q8IYT8 1/20 0.44
HDAC3 O15379 1/20 0.44
TYK2 P29597 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL3240796 0.85 SYK (0.53) ALKSYKULK1ULK2
SCHEMBL3265411 0.85 AURKA (0.52) JAK2LRRK2JAK1JAK3ALK
SCHEMBL3136804 0.84 JAK2 (0.65) CTSCJAK2LRRK2JAK1JAK3
SCHEMBL1937742 0.82 CTSC (0.49) CTSCJAK2LRRK2JAK1JAK3
SCHEMBL3265844 0.81 CTSC (0.48) CTSCJAK2LRRK2JAK1JAK3
SCHEMBL1935796 0.81 CTSC (0.48) CTSCJAK2LRRK2JAK1JAK3
SCHEMBL1937715 0.81 SYK (0.52) CTSCJAK2JAK1JAK3ALK
SCHEMBL1937720 0.81 CTSC (0.48) CTSCJAK2JAK1JAK3ALK
SCHEMBL1935031 0.81 AXL (0.49) CTSCJAK2JAK1JAK3ALK
SCHEMBL3145005 0.81 NTRK1 (0.62) JAK2JAK1JAK3ALKINSR

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-20110245242-A1 Heterocyclically Substituted Anilinopyrimides BAYER CROPSCIENCE AG (DE) 2011-10-06 US 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 CTSC 3292/4885JAK2 220/4885LRRK2 1356/4885

“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.