SCHEMBL17321237

SCHEMBL17321237

Cc1ccc2c(c1)CCC(I)C(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 5/20 0.39
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTR5A P47898 1/20 0.39
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2C19 P33261 1/20 0.38
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
EPHX2 P34913 1/20 0.37
DDB1 Q16531 2/20 0.37
CRBN Q96SW2 2/20 0.37
PKM P14618 3/20 0.36
RIPK1 Q13546 1/20 0.34

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
SCHEMBL18743979 0.88 HTR5A (0.40) SRD5A1CYP3A4ALDH1A1HTR5ACYP1A2
SCHEMBL15964662 0.81 AHR (0.50) SRD5A1HTR5ARIPK1
SCHEMBL15964664 0.81 BRD4 (0.45) SRD5A1CYP3A4POLBCYP2C19PARP10
SCHEMBL2361761 0.81 HTR5A (0.40) SRD5A1HTR5ACYP1A2CYP2C19PARP10
SCHEMBL17321238 0.81 HTR5A (0.42) SRD5A1CYP3A4ALDH1A1HTR5ACYP1A2
SCHEMBL17321239 0.81 HTR5A (0.42) SRD5A1CYP3A4ALDH1A1HTR5ACYP1A2
SCHEMBL13317179 0.81 CYP3A4 (0.39) SRD5A1CYP3A4ALDH1A1HTR5ACYP1A2
SCHEMBL9023764 0.81 MAPT (0.35) ALDH1A1DDB1CRBNRIPK1
SCHEMBL9025593 0.81 PDE3B (0.51) SRD5A1CYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL9025886 0.78 KMT2A (0.49) SRD5A1PARP10DDB1CRBNPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180098998-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-12 US disclosed
US-20170183332-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-06-29 US disclosed
US-9624202-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-18 US disclosed
US-9556152-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-31 US disclosed
US-20170008878-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-12 US disclosed
US-20150353533-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-10 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 (4 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-20170183332-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP4K2 SRD5A1 3015/4885CYP3A4 2195/4885ALDH1A1 2245/4885
US-20170008878-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP4K2 SRD5A1 3015/4885CYP3A4 2195/4885ALDH1A1 2245/4885
US-20180098998-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP4K2 SRD5A1 3015/4885CYP3A4 2195/4885ALDH1A1 2245/4885
US-20150353533-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP3K3 SRD5A1 3070/4885CYP3A4 2254/4885ALDH1A1 2216/4885

“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.