SCHEMBL865555

SCHEMBL865555

Brc1cnn2c(N[C@H]3CCc4ccccc43)ncnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
PDPK1 O15530 1/20 0.40
P2RX7 Q99572 2/20 0.40
JAK2 O60674 2/20 0.40
JAK3 P52333 2/20 0.40
IGF1R P08069 1/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CDK1 P06493 1/20 0.39
PDE2A O00408 1/20 0.39
FADS1 O60427 1/20 0.39
NSD2 O96028 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL865556 1.00 EGFR (0.41) EGFRPDPK1P2RX7JAK2JAK3
SCHEMBL865942 0.76 NAE1 (0.43) JAK2JAK3AURKARPS6KB1NAE1
SCHEMBL10149505 0.75 MEN1 (0.38) EGFRP2RX7AURKARPS6KB1PDE2A
SCHEMBL865948 0.72 P2RX7 (0.40) EGFRP2RX7NAE1CA2GRK5
SCHEMBL865919 0.72 P2RX7 (0.40) EGFRP2RX7NAE1CA2GRK5
SCHEMBL10183394 0.70 EGFR (0.36) EGFRP2RX7MEN1ALDH1A1KMT2A
SCHEMBL867795 0.70 NAE1 (0.63) NAE1CA2GRK5CSNK1A1
SCHEMBL867158 0.70 EGFR (0.47) EGFRPDPK1IGF1RAURKARPS6KB1
SCHEMBL26614714 0.68 LMNA (0.48) EGFRPDPK1JAK2JAK3IGF1R
SCHEMBL26614709 0.68 LMNA (0.48) EGFRPDPK1JAK2JAK3IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 US disclosed
US-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 US disclosed
US-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 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-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES NEDD8, NAE1, UBA3 EGFR 3897/4885PDPK1 4188/4885P2RX7 3759/4885

“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.