SCHEMBL2812082

SCHEMBL2812082

Fc1cccc(CCNc2nc3c4c(n2)N(Cc2ccccc2)CCC4NN3)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PRKCQ Q04759 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MC4R P32245 1/20 0.34
MRGPRX1 Q96LB2 1/20 0.34
CLPP Q16740 1/20 0.34
ABL1 P00519 1/20 0.34
SRC P12931 1/20 0.34
GBA1 P04062 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SLC6A3 Q01959 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL2813871 0.91 MRGPRX1 (0.39) MRGPRX1SRCMAPT
SCHEMBL2812918 0.90 MRGPRX1 (0.38) GPR84SIGMAR1ALDH1A1MRGPRX1MAPT
SCHEMBL538194 0.89 KMT2A (0.37) GPR84SIGMAR1ALDH1A1MRGPRX1CLPP
SCHEMBL2811035 0.89 ACHE (0.37) MRGPRX1CLPPMAPTFFAR1
SCHEMBL2816649 0.88 MRGPRX1 (0.38) SIGMAR1MRGPRX1MAPT
SCHEMBL2811115 0.87 MAPT (0.40) SIGMAR1CLPPMAPTFFAR1FFAR4
SCHEMBL2816455 0.86 SIGMAR1 (0.34) GPR84SIGMAR1PRKCQALDH1A1MRGPRX1
SCHEMBL2808425 0.86 MRGPRX1 (0.39) SIGMAR1MRGPRX1SLC6A3
SCHEMBL2810531 0.86 MRGPRX1 (0.48) MRGPRX1
SCHEMBL2816668 0.85 MRGPRX1 (0.39) SIGMAR1ALDH1A1MRGPRX1LMNAMAPT

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 GPR84 3626/4885SIGMAR1 4535/4885PRKCQ 1625/4885

“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.