SCHEMBL20086121

SCHEMBL20086121

CC(C)n1cc(N)c(-c2ccccn2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.42
KDM4E B2RXH2 7/20 0.41
LMNA P02545 3/20 0.41
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
METAP1 P53582 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
DOHH Q9BU89 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
NPC1 O15118 3/20 0.40
RET P07949 5/20 0.39
TP53 P04637 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALOX15 P16050 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TSHR P16473 1/20 0.39

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
Hydrochloric Acid SCHEMBL29911872 0.98 ADORA1 (0.41) ADORA1KDM4ELMNACCR1CCR5
SCHEMBL25818831 0.80 KDM4E (0.43) ADORA1KDM4ELMNACCR1CCR5
Hydrochloric Acid SCHEMBL28976188 0.79 KDM4E (0.42) ADORA1KDM4ELMNACCR1CCR5
SCHEMBL28052586 0.76 ADORA2A (0.43) ADORA1
SCHEMBL29911966 0.75 ADORA1 (0.41) ADORA1KDM4ELMNAPOLBNPC1
SCHEMBL29068847 0.73 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29911884 0.71 DYRK1A (0.54) ADORA1KDM4ELMNACCR1CCR5
SCHEMBL12777958 0.71 DYRK1A (0.54) ADORA1KDM4ELMNACCR1CCR5
SCHEMBL310349 0.71 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30791149 0.71 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4212523-A1 PYRAZOLE AMIDE COMPOUNDS AS IRAK INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2023-07-19 EP disclosed
US-11530194-B2 Amide compounds and method for making and using RIGEL PHARMACEUTICALS, INC. (US) 2022-12-20 US disclosed
US-20210214342-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2021-07-15 US disclosed
US-10947216-B2 Amide compounds and method for making and using RIGEL PHARMACEUTICALS, INC. (US) 2021-03-16 US disclosed
US-10414753-B2 Amide compounds and method for making and using RIGEL PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
WO-2018081294-A1 PYRAZOLE AMIDE COMPOUNDS AS IRAK INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2018-05-03 WO disclosed
US-20180111917-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING MIDCAP FINANCIAL TRUST 2018-04-26 US disclosed
US-20180111917-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING MIDCAP FINANCIAL TRUST 2018-04-26 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 (5 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-10947216-B2 Amide compounds and method for making and using IRAK1, IRAK2, IRAK3 ADORA1 1327/4885KDM4E 929/4885LMNA 2345/4885
US-20180111917-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING IRAK1, IRAK2, IRAK3 ADORA1 1327/4885KDM4E 929/4885LMNA 2345/4885
US-10414753-B2 Amide compounds and method for making and using IRAK1, IRAK2, IRAK3 ADORA1 1327/4885KDM4E 929/4885LMNA 2345/4885
US-11530194-B2 Amide compounds and method for making and using IRAK1, IRAK2, IRAK3 ADORA1 1327/4885KDM4E 929/4885LMNA 2345/4885
US-20210214342-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING IRAK1, IRAK2, IRAK3 ADORA1 1327/4885KDM4E 929/4885LMNA 2345/4885

“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.