SCHEMBL3461152

SCHEMBL3461152

CCN1CCCC(NC(=O)c2cnccn2)C1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.56
HRH1 P35367 1/20 0.56
GAA P10253 2/20 0.53
SMYD3 Q9H7B4 1/20 0.51
KDM5A P29375 1/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MMP2 P08253 1/20 0.48
ANPEP P15144 1/20 0.48
KDM4E B2RXH2 1/20 0.47
GRM5 P41594 1/20 0.47
PKM P14618 1/20 0.43
ACKR3 P25106 1/20 0.43

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
SCHEMBL3462118 0.93 HRH2 (0.63) HRH2HRH1GAASMYD3KDM5A
SCHEMBL31086828 0.84 HRH2 (0.53) HRH2HRH1GAASMYD3KDM5A
SCHEMBL3460994 0.80 ACKR3 (0.57) HRH2HRH1GAASMN1; SMN2GRM5
SCHEMBL28266316 0.79 SMYD3 (0.66) GAASMYD3MAPTNPC1RAB9A
SCHEMBL21722409 0.79 HRH2 (0.58) HRH2HRH1GAASMYD3KDM5A
SCHEMBL3462409 0.79 HRH2 (0.58) HRH2HRH1GAASMYD3KDM5A
SCHEMBL20451349 0.78 GAA (0.64) GAASMYD3MAPTNPC1RAB9A
SCHEMBL12218526 0.78 GAA (0.64) GAASMYD3MAPTNPC1RAB9A
SCHEMBL25135867 0.77 CD38 (0.50) GAA
SCHEMBL25135852 0.77 CD38 (0.50) GAA

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-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 HRH2 1297/4885HRH1 1436/4885GAA 3885/4885

“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.