SCHEMBL20396352

SCHEMBL20396352

Nc1cc(Br)cnc1OC1CCOC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
AKT1 P31749 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
LRRK2 Q5S007 3/20 0.39
TYK2 P29597 3/20 0.38
FFAR2 O15552 2/20 0.36
BRD4 O60885 1/20 0.36
ATXN2 Q99700 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
CNR2 P34972 1/20 0.33

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
SCHEMBL28329731 0.91 ALOX5AP (0.40) GRM4PIK3CALRRK2FFAR2ATXN2
SCHEMBL20689409 0.84 TYK2 (0.47) GRM4MAPK8MAPK9AKT1PIK3CA
SCHEMBL20689128 0.84 TYK2 (0.47) GRM4MAPK8MAPK9AKT1PIK3CA
SCHEMBL2839113 0.83 LRRK2 (0.44) GRM4MAPK8MAPK9AKT1PIK3CA
SCHEMBL24723259 0.80 AKT1 (0.39) MAPK8MAPK9AKT1PIK3CAMTOR
SCHEMBL20396370 0.79 LRRK2 (0.36) GRM4MAPK8MAPK9AKT1PIK3CA
SCHEMBL17594827 0.76 IRAK4 (0.38) PIK3CALRRK2ATXN2ALOX5APFEN1
SCHEMBL19171720 0.75 MAPK1 (0.41) GRM4PIK3CALRRK2TYK2ATXN2
SCHEMBL16667921 0.74 PIK3CA (0.44) GRM4MAPK8MAPK9AKT1PIK3CA
SCHEMBL16667919 0.74 PIK3CA (0.44) GRM4MAPK8MAPK9AKT1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190352300-A1 PYRROLOPYRIMIDINE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ACLARIS THERAPEUTICS, INC. (US) 2019-11-21 US disclosed
US-20190352300-A1 PYRROLOPYRIMIDINE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ACLARIS THERAPEUTICS, INC. (US) 2019-11-21 US disclosed
US-10316038-B2 Pyrrolopyrimidine ITK inhibitors for treating inflammation and cancer ACLARIS THERAPEUTICS, INC. (US) 2019-06-11 US disclosed
US-10316038-B2 Pyrrolopyrimidine ITK inhibitors for treating inflammation and cancer ACLARIS THERAPEUTICS, INC. (US) 2019-06-11 US disclosed
WO-2018140648-A1 PYRROLOPYRIMIDINE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER JACOBSEN ERIC JON (US) 2018-08-02 WO disclosed
WO-2018140648-A1 PYRROLOPYRIMIDINE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER JACOBSEN ERIC JON (US) 2018-08-02 WO disclosed
US-20180208594-A1 PYRROLOPYRIMIDINE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ACLARIS THERAPEUTICS, INC. 2018-07-26 US disclosed
US-20180208594-A1 PYRROLOPYRIMIDINE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ACLARIS THERAPEUTICS, INC. 2018-07-26 US disclosed
US-20180208594-A1 PYRROLOPYRIMIDINE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ACLARIS THERAPEUTICS, INC. 2018-07-26 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 (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-10316038-B2 Pyrrolopyrimidine ITK inhibitors for treating inflammation and cancer ITK, PDXK, WEE1 GRM4 3688/4885MAPK8 651/4885MAPK9 626/4885
US-20190352300-A1 PYRROLOPYRIMIDINE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, PDXK, WEE1 GRM4 3688/4885MAPK8 651/4885MAPK9 626/4885
US-20180208594-A1 PYRROLOPYRIMIDINE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, PDXK, WEE1 GRM4 3688/4885MAPK8 651/4885MAPK9 626/4885

“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.