SCHEMBL2816455

SCHEMBL2816455

Fc1ccccc1CCNc1nc2c3c(n1)N(Cc1ccccc1)CCC3NN2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TYRO3 Q06418 1/20 0.33
PRKCQ Q04759 1/20 0.33
CLPP Q16740 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
CCND3 P30281 1/20 0.32
CDK6 Q00534 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRK6 P43250 1/20 0.32
CETP P11597 1/20 0.32
OGA O60502 1/20 0.32

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
SCHEMBL2814269 0.90 RXFP1 (0.36) SIGMAR1ALDH1A1ATMTYRO3MRGPRX1
SCHEMBL2814443 0.89 RXFP1 (0.35) MAPTPRKCQCLPPMRGPRX1CETP
SCHEMBL2813871 0.88 MRGPRX1 (0.39) MAPTMRGPRX1GRK6CETPOGA
SCHEMBL2813048 0.87 IP6K1 (0.40) SIGMAR1
SCHEMBL2812082 0.86 GPR84 (0.35) SIGMAR1ALDH1A1MAPTPRKCQCLPP
SCHEMBL2808425 0.85 MRGPRX1 (0.39) SIGMAR1MRGPRX1CETPOGA
SCHEMBL2810531 0.85 MRGPRX1 (0.48) MRGPRX1CETPOGA
SCHEMBL2811945 0.84 ACHE (0.38) ALDH1A1SMN1; SMN2
SCHEMBL2816668 0.84 MRGPRX1 (0.39) SIGMAR1KDM4EALDH1A1MAPTMRGPRX1
SCHEMBL2816740 0.84 OGA (0.32) ALDH1A1SMN1; SMN2MRGPRX1OGA

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 SIGMAR1 4535/4885KDM4E 2749/4885ALDH1A1 924/4885

“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.