SCHEMBL4265604

SCHEMBL4265604

OC(Cn1cc(Cc2nnn[nH]2)c2ccccc21)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 8/20 0.39
CYP19A1 P11511 1/20 0.37
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HTR6 P50406 1/20 0.35
PRMT5 O14744 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL4262178 0.78 KMT2A (0.52) PLK1HDAC1HDAC8HDAC6GAA
SCHEMBL3217967 0.75 GPR84 (0.38) CYP19A1HTR6
SCHEMBL3664057 0.72 CFD (0.35)
SCHEMBL8180592 0.71 GAA (0.45) GAASMN1; SMN2POLBALDH1A1
SCHEMBL4259200 0.71 PRMT5 (0.57) PLK1PRMT5TSHRSMN1; SMN2POLB
SCHEMBL19410243 0.70 ALDH1A1 (0.53) CYP19A1TSHRPOLBMEN1KMT2A
SCHEMBL19410244 0.70 ALDH1A1 (0.53) CYP19A1TSHRPOLBMEN1KMT2A
SCHEMBL11380829 0.70 ADRA2A (0.43) CYP19A1HTR6
SCHEMBL8178797 0.69 F2 (0.51) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8391152 0.69 MPO (0.50) CYP19A1HTR6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101687789-A Novel inhibitors hepatitis c virus replication INTERMUNE INC 2010-03-31 CN disclosed
EP-2134683-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2009-12-23 EP disclosed
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 US disclosed
WO-2008100867-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-08-21 WO 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-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS PLK1 527/4885CYP19A1 2293/4885HDAC1 1881/4885

“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.