SCHEMBL2811035

SCHEMBL2811035

Cc1cccc(CCNc2nc3c4c(n2)N(Cc2ccccc2)CCC4NN3)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
BCHE P06276 1/20 0.36
GPR6 P46095 1/20 0.35
OGA O60502 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
ESR2 Q92731 1/20 0.35
FFAR1 O14842 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
MRGPRX1 Q96LB2 1/20 0.34
HRH1 P35367 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
CLPP Q16740 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL2812918 0.90 MRGPRX1 (0.38) ACHEBACE1CYP2C19POLBMRGPRX1
SCHEMBL538194 0.89 KMT2A (0.37) OGAESR2KMT2AMRGPRX1CLPP
SCHEMBL2812082 0.89 GPR84 (0.35) FFAR1MRGPRX1CLPPMAPT
SCHEMBL2816740 0.89 OGA (0.32) ACHEBACE1OGAMEN1KMT2A
SCHEMBL2811115 0.89 MAPT (0.40) FFAR1CLPPMAPTHRH3
SCHEMBL2816649 0.88 MRGPRX1 (0.38) ESR2MRGPRX1MAPT
SCHEMBL2814443 0.86 RXFP1 (0.35) ACHEOGAESR2FFAR1MRGPRX1
SCHEMBL2808425 0.86 MRGPRX1 (0.39) OGAESR2MRGPRX1HRH1HRH4
SCHEMBL2810531 0.86 MRGPRX1 (0.48) OGAESR2MEN1KMT2AMRGPRX1
SCHEMBL2813035 0.86 MCHR1 (0.36) OGAMAPT

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 ACHE 4402/4885BACE1 3588/4885BCHE 4134/4885

“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.