SCHEMBL10136907

SCHEMBL10136907

Cc1cnc(N2CCCC(C)C2)cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.46
MAP4K4 O95819 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
RAB9A P51151 7/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 6/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 2/20 0.43
JAK3 P52333 1/20 0.42
GRM4 Q14833 2/20 0.41
KCNH2 Q12809 2/20 0.41
GPR119 Q8TDV5 2/20 0.41
RECQL P46063 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
SCHEMBL14642618 0.83 RAB9A (0.45) ADRA1AMAP4K4RXFP1RAB9ASMN1; SMN2
SCHEMBL23515431 0.82 MAP4K4 (0.46) MAP4K4
SCHEMBL25065368 0.82 CHRM3 (0.42) KCNH2GPR119
SCHEMBL13658000 0.81 ADRA1A (0.43) ADRA1AMAP4K4RXFP1RAB9ASMN1; SMN2
SCHEMBL13115713 0.81 ADRA1A (0.53) ADRA1AMAP4K4RXFP1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL23497626 0.81 MAP4K4 (0.45) MAP4K4
Hydrochloric Acid SCHEMBL29744374 0.81 MAP4K4 (0.45) MAP4K4
SCHEMBL2554929 0.80 ADRA1A (0.45) ADRA1AMAP4K4RXFP1RAB9ASMN1; SMN2
SCHEMBL25065351 0.80 KCNH2 (0.39) KDM4EHPGDKCNH2GPR119
SCHEMBL9885064 0.79 KCNH2 (0.51) RAB9ASMN1; SMN2ALDH1A1KDM4ENPC1

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
WO-2021116451-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2021-06-17 WO disclosed
WO-2021116446-A1 FUNCTIONALIZED HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2021-06-17 WO disclosed
US-9624229-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2014-07-31 US disclosed
US-8735418-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2014-05-27 US disclosed
US-8207337-B2 Reagent for organic synthesis reaction containing organic triol borate salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-26 US disclosed
US-8207337-B2 Reagent for organic synthesis reaction containing organic triol borate salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-26 US disclosed
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-08 US disclosed
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-08 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 (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-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ADRA1A 2739/4885MAP4K4 207/4885RXFP1 1632/4885
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT ORC3, OXSR1, OSTC ADRA1A 4402/4885MAP4K4 1134/4885RXFP1 3077/4885

“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.