Sugi Predict

Sugi Predict / Compounds / SCHEMBL3530799

SCHEMBL3530799

SCHEMBL3530799

Cc1cccc([C@H](C)c2nccn2Cc2cc(F)c(F)cc2F)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 5/20 0.38
▸ KCNH2 Q12809 5/20 0.37
▸ CYP2D6 P10635 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ ADRA2A P08913 4/20 0.33
▸ ADRA2B P18089 4/20 0.33
▸ ADRA1A P35348 3/20 0.33
▸ ADRA1B P35368 3/20 0.33
▸ ADRA1D P25100 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL695870 0.89 PPARG (0.38) ADRA2CKCNH2CYP2D6TSHRCYP2C19
SCHEMBL696898 0.89 KCNH2 (0.38) ADRA2CKCNH2CYP2D6TSHRCYP2C19
SCHEMBL698377 0.87 ADRA2C (0.44) ADRA2CKCNH2TDP1KMT2ATP53
SCHEMBL697415 0.87 CYP2D6 (0.45) ADRA2CKCNH2CYP2D6TSHRCYP2C19
SCHEMBL697058 0.86 ADRA2C (0.40) ADRA2CKCNH2CYP2D6TSHRCYP2C19
SCHEMBL699063 0.86 ADRA2C (0.42) ADRA2CKCNH2CYP2D6TSHRCYP2C19
SCHEMBL696282 0.85 KCNH2 (0.39) KCNH2TDP1P2RX7
SCHEMBL696318 0.84 PKM (0.39) ADRA2CKCNH2CYP2D6TSHRCYP2C19
SCHEMBL697585 0.84 ADRA2C (0.53) ADRA2CTSHRTDP1KMT2AP2RX7
SCHEMBL698557 0.84 KCNH2 (0.35) ADRA2CKCNH2CYP2D6TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 — — US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 — — US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 — — US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 — — US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 — — US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 — — US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 — — US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 — — 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ADRA2C 144/4885KCNH2 277/4885CYP2D6 15/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ADRA2C 144/4885KCNH2 277/4885CYP2D6 15/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ADRA2C 144/4885KCNH2 277/4885CYP2D6 15/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ADRA2C 144/4885KCNH2 277/4885CYP2D6 15/4885

“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.