SCHEMBL2816740

SCHEMBL2816740

Cc1ccc(C)c(CCNc2nc3c4c(n2)N(Cc2ccccc2)CCC4NN3)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OGA O60502 2/20 0.32
ACHE P22303 3/20 0.31
HRH1 P35367 3/20 0.31
HRH4 Q9H3N8 3/20 0.31
KDM1A O60341 2/20 0.31
EHMT2 Q96KQ7 2/20 0.31
RCOR1 Q9UKL0 2/20 0.31
MRGPRX1 Q96LB2 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
TP53 P04637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
BACE1 P56817 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
SCHEMBL2814443 0.91 RXFP1 (0.35) OGAACHEHRH1HRH4MRGPRX1
SCHEMBL2811035 0.89 ACHE (0.37) OGAACHEHRH1HRH4MRGPRX1
SCHEMBL2814269 0.85 RXFP1 (0.36) ACHEMRGPRX1MEN1KMT2AALDH1A1
SCHEMBL2816455 0.84 SIGMAR1 (0.34) OGAMRGPRX1ALDH1A1SMN1; SMN2
SCHEMBL2813048 0.84 IP6K1 (0.40) KDM1AEHMT2RCOR1MEN1KMT2A
SCHEMBL2816668 0.83 MRGPRX1 (0.39) OGAACHEHRH1HRH4MRGPRX1
SCHEMBL2809480 0.83 SSTR5 (0.37) ACHESMN1; SMN2
SCHEMBL2812918 0.82 MRGPRX1 (0.38) ACHEMRGPRX1ALDH1A1BACE1
SCHEMBL2810531 0.82 MRGPRX1 (0.48) OGAMRGPRX1MEN1KMT2A
SCHEMBL2808425 0.82 MRGPRX1 (0.39) OGAHRH1HRH4MRGPRX1

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 OGA 3938/4885ACHE 4402/4885HRH1 2327/4885

“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.