SCHEMBL21477591

SCHEMBL21477591

CC(C)c1cnc2sccc2n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
TNF P01375 1/20 0.32
RAB9A P51151 1/20 0.32
NOD1 Q9Y239 1/20 0.32
ELANE P08246 1/20 0.30
NTRK1 P04629 1/20 0.30
LTK P29376 1/20 0.30
TYRO3 Q06418 1/20 0.30
NTRK2 Q16620 1/20 0.30
CLK4 Q9HAZ1 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
SCHEMBL14438014 0.75 L3MBTL1 (0.34) ADORA2AADORA1RAB9ANTRK1LTK
SCHEMBL20798971 0.74 PDE7A (0.38) ADORA3ADORA2AADORA2BADORA1
SCHEMBL23005865 0.72
SCHEMBL9051434 0.71 CYP3A4 (0.33) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL17464085 0.71 ALDH1A1 (0.39) ADORA2AADORA1NTRK1LTKTYRO3
SCHEMBL15423515 0.71 ADORA3 (0.39) ADORA3ADORA2AADORA2BADORA1ELANE
SCHEMBL7708390 0.71 ADORA3 (0.36) ADORA3ADORA2AADORA2BADORA1RAB9A
SCHEMBL31300307 0.68 PDE10A (0.47) RAB9A
SCHEMBL1102411 0.68 PDE10A (0.47) RAB9A
SCHEMBL21481134 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091462-B2 (Hetero)arylamide compound for inhibiting protein kinase activity SHENZHEN TARGETRX, INC. (CN) 2021-08-17 US disclosed
EP-3838897-A2 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY Shenzhen TargetRx, Inc. (CN) 2021-06-23 EP disclosed
EP-3553056-B1 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY SHENZHEN TARGETRX INC (CN) 2021-02-17 EP disclosed
US-20200377473-A9 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2020-12-03 US disclosed
EP-3553056-A1 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY Shenzhen Targetrx, Inc. (CN) 2019-10-16 EP 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 (2 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-11091462-B2 (Hetero)arylamide compound for inhibiting protein kinase activity MAP2K2, MAP2K5, MAP2K4 ADORA3 2218/4885ADORA2A 1321/4885ADORA2B 2431/4885
US-20200377473-A9 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY MAP2K2, MAP2K4, MAP2K5 ADORA3 2322/4885ADORA2A 1301/4885ADORA2B 2457/4885

“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.