SCHEMBL2811115

SCHEMBL2811115

COc1cccc(CCNc2nc3c4c(n2)N(Cc2ccccc2)CCC4NN3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
DRD4 P21917 1/20 0.37
KDM1A O60341 2/20 0.37
EHMT2 Q96KQ7 2/20 0.37
RCOR1 Q9UKL0 2/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
MLNR O43193 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
TYRO3 Q06418 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAOB P27338 2/20 0.36
HTR6 P50406 2/20 0.36

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
SCHEMBL2813035 0.94 MCHR1 (0.36) MAPTSIGMAR1KDM1AEHMT2RCOR1
SCHEMBL2812214 0.92 ADORA2A (0.42) SIGMAR1ADORA3ADORA2AADORA2BADORA1
SCHEMBL2810273 0.91 ADORA3 (0.41) MAPTSIGMAR1ADORA3ADORA2AADORA1
SCHEMBL2813941 0.91 ADORA3 (0.41) MAPTSIGMAR1ADORA3ADORA2AADORA1
SCHEMBL2811035 0.89 ACHE (0.37) MAPTFFAR1HRH3CLPP
SCHEMBL2812918 0.88 MRGPRX1 (0.38) MAPTSIGMAR1DRD4MAOBHTR6
SCHEMBL2812972 0.88 SIGMAR1 (0.38) MAPTSIGMAR1ADORA2AADORA2BADORA1
SCHEMBL2812082 0.87 GPR84 (0.35) MAPTSIGMAR1FFAR1FFAR4CLPP
SCHEMBL538194 0.87 KMT2A (0.37) MAPTSIGMAR1DRD4CLPP
SCHEMBL2813048 0.85 IP6K1 (0.40) SIGMAR1KDM1AEHMT2RCOR1HTR6

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-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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 (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-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 MAPT 2947/4885SIGMAR1 4535/4885ADORA3 614/4885

“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.