SCHEMBL20833653

SCHEMBL20833653

COC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(I)cn3C)cn2C)cn1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.44
TOP1 P11387 2/20 0.44
HRAS P01112 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.43
HIF1A Q16665 1/20 0.43
PRKCA P17252 3/20 0.42
RXFP1 Q9HBX9 1/20 0.39
HPSE Q9Y251 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL20833642 1.00 P2RY12 (0.44) P2RY12TOP1HRASESR1ESR2
SCHEMBL7709312 0.86 CYP1A2 (0.46) KDM4EPOLBCYP1A2CYP2C19LMNA
SCHEMBL21180775 0.86 P2RY12 (0.44) P2RY12TOP1HRASESR1ESR2
SCHEMBL12514045 0.86 P2RY12 (0.44) P2RY12TOP1HRASESR1ESR2
SCHEMBL26004856 0.86 P2RY12 (0.44) P2RY12TOP1HRASESR1ESR2
SCHEMBL14461984 0.84 P2RY12 (0.45) P2RY12TOP1HRASESR1ESR2
SCHEMBL14379307 0.84 P2RY12 (0.47) P2RY12TOP1HRASESR1ESR2
SCHEMBL18089365 0.82 GAA (0.44) P2RY12TOP1HRASESR1ESR2
SCHEMBL14084339 0.81 HRAS (0.43) P2RY12TOP1HRASESR1ESR2
SCHEMBL20833664 0.81 KDM4E (0.40) TOP1HRASESR1ESR2MAPT

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-20190084928-A1 METHOD FOR PRODUCING NITROGEN-CONTAINING AROMATIC AMIDE, METHOD FOR PRODUCING PYRROLE-IMIDAZOLE POLYAMIDE, AND COMPOUND NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2019-03-21 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-20190084928-A1 METHOD FOR PRODUCING NITROGEN-CONTAINING AROMATIC AMIDE, METHOD FOR PRODUCING PYRROLE-IMIDAZOLE POLYAMIDE, AND COMPOUND NIT2, NAAA, NOS2 P2RY12 4393/4885TOP1 2549/4885HRAS 4037/4885

“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.