SCHEMBL18169574

SCHEMBL18169574

C=CS(=O)(=O)Nc1cccc(Nc2cc(NCCCCC)ncn2)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.49
LRRK2 Q5S007 1/20 0.49
EGFR P00533 9/20 0.48
DNM2 P50570 2/20 0.44
TNNI3K Q59H18 6/20 0.43
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
AURKA O14965 1/20 0.40
ERBB3 P21860 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
SCHEMBL691634 0.81 TNNI3K (0.59) SRCLRRK2EGFRTNNI3K
SCHEMBL12431497 0.76 THRB (0.57) SRCLRRK2EGFRTNNI3KKDM4E
SCHEMBL27408585 0.74 EGFR (0.74) EGFRDNM2TNNI3KMAPT
SCHEMBL27408584 0.74 EGFR (0.52) EGFRDNM2TNNI3KKDM4EPOLB
SCHEMBL2203654 0.74 EGFR (0.47) SRCLRRK2EGFRTNNI3KMAPK1
SCHEMBL14772971 0.74 EGFR (0.45) SRCLRRK2EGFRTNNI3KERBB3
SCHEMBL18177583 0.70 EGFR (0.55) SRCLRRK2EGFR
SCHEMBL27337220 0.69 EGFR (0.78) EGFRTNNI3KMAPTMAPK1
SCHEMBL12262286 0.68 ERBB2 (0.51) SRCLRRK2EGFRAURKAERBB3
SCHEMBL8799214 0.68 EGFR (0.83) EGFRTNNI3KKDM4EPOLBMAPT

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-20160311780-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RES INC (US) 2016-10-27 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-20160311780-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 SRC 526/4885LRRK2 1200/4885EGFR 1981/4885

“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.