SCHEMBL443610

SCHEMBL443610

COC(=O)c1cc(N)c(N)c(-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.52
TSHR P16473 1/20 0.50
PTGS2 P35354 1/20 0.50
ALDH1A1 P00352 6/20 0.49
HPGD P15428 5/20 0.49
GAA P10253 3/20 0.49
KDM4E B2RXH2 3/20 0.49
PKM P14618 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
PRKCZ Q05513 1/20 0.49
MAPT P10636 3/20 0.49
HSD17B10 Q99714 2/20 0.49
GLA P06280 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
ATM Q13315 1/20 0.49
PDGFRB P09619 1/20 0.48
KDR P35968 1/20 0.48

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
SCHEMBL443326 0.86 EGFR (0.55) EGFRTSHRPTGS2ALDH1A1HPGD
SCHEMBL18582577 0.86 EGFR (0.51) EGFRTSHRPTGS2ALDH1A1HPGD
SCHEMBL443609 0.86 EGFR (0.58) EGFRTSHRPTGS2ALDH1A1HPGD
SCHEMBL452451 0.85 KDM4E (0.52) PTGS2ALDH1A1HPGDGAAKDM4E
SCHEMBL23628969 0.83 PTGS2 (0.58) EGFRTSHRPTGS2ALDH1A1HPGD
SCHEMBL2686505 0.83 EGFR (0.61) EGFRTSHRPTGS2ALDH1A1HPGD
SCHEMBL5988425 0.80 EGFR (0.62) EGFRTSHRPTGS2ALDH1A1HPGD
SCHEMBL28461177 0.79 KDM4E (0.60) TSHRALDH1A1HPGDGAAKDM4E
SCHEMBL6735790 0.79 EGFR (0.56) EGFRTSHRPTGS2ALDH1A1HPGD
SCHEMBL27878777 0.77 TSHR (0.68) EGFRTSHRALDH1A1HPGDGAA

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-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 EGFR 3390/4885TSHR 1614/4885PTGS2 450/4885

“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.