SCHEMBL3067151

SCHEMBL3067151

O=C(O)NCCCn1nc(-c2ccccc2)cc1C(=O)CC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
PIN1 Q13526 3/20 0.41
TP53 P04637 1/20 0.41
UBE2N P61088 1/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40

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
SCHEMBL3065148 0.94 CYP2D6 (0.43) GAAMAPTMEN1KMT2ACYP2D6
SCHEMBL13137615 0.87 ACACB (0.43) GAAMAPTMEN1KMT2ACYP2D6
SCHEMBL13137566 0.81 ACACB (0.44) CYP2D6ALDH1A1PIN1
SCHEMBL2774280 0.73 L3MBTL1 (0.45) GAAMAPTMEN1KMT2ACYP2D6
SCHEMBL611943 0.66 EPHX2 (0.50) MEN1KMT2AKDM4EALDH1A1
SCHEMBL3067048 0.66 L3MBTL1 (0.46) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL1313264 0.66 CA1 (0.43) MAPTCYP2D6LMNAKDM4EALDH1A1
SCHEMBL2841698 0.64 KDM4E (0.45) CYP2D6CYP3A4LMNAKDM4EALDH1A1
SCHEMBL5981219 0.64 KMT2A (0.40) GAAMAPTMEN1KMT2ALMNA
SCHEMBL3465622 0.63 PRKD3 (0.60) GAAMAPTMEN1KMT2ACYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222332-A1 PYRAZOLO-PYRAZINES DERIVATIVES USED AS G PROTEIN INHIBITORS IPSEN PHARMA S.A.S. (FR) 2010-09-02 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-20100222332-A1 PYRAZOLO-PYRAZINES DERIVATIVES USED AS G PROTEIN INHIBITORS GNAI1, GRK5, GNAI2 GAA 4578/4885MAPT 3990/4885MEN1 935/4885

“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.