SCHEMBL2812918

SCHEMBL2812918

Clc1cccc(CCNc2nc3c4c(n2)N(Cc2ccccc2)CCC4NN3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 1/20 0.38
IGF1R P08069 1/20 0.37
CETP P11597 1/20 0.37
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LCK P06239 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
MAPT P10636 2/20 0.35
GLA P06280 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACKR3 P25106 1/20 0.35

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
SCHEMBL2810531 0.91 MRGPRX1 (0.48) MRGPRX1CETPACKR3HTR2B
SCHEMBL2811035 0.90 ACHE (0.37) MRGPRX1ACHEBACE1MAPTCYP2C19
SCHEMBL2812082 0.90 GPR84 (0.35) MRGPRX1SIGMAR1MAPTALDH1A1GPR84
SCHEMBL538194 0.90 KMT2A (0.37) MRGPRX1IGF1RCETPSIGMAR1MAPT
SCHEMBL2816649 0.90 MRGPRX1 (0.38) MRGPRX1CETPSIGMAR1MAPTHTT
SCHEMBL2811115 0.88 MAPT (0.40) SIGMAR1MAPTDRD4MAOBHTR6
SCHEMBL2808425 0.87 MRGPRX1 (0.39) MRGPRX1CETPSIGMAR1HTR2BHTR6
SCHEMBL2814269 0.86 RXFP1 (0.36) MRGPRX1CETPACHEBACE1HDAC3
SCHEMBL2816668 0.86 MRGPRX1 (0.39) MRGPRX1IGF1RCETPACHEBACE1
SCHEMBL2813871 0.86 MRGPRX1 (0.39) MRGPRX1CETPACHEBACE1MAPT

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 MRGPRX1 2755/4885IGF1R 3606/4885CETP 3825/4885

“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.