SCHEMBL17960722

SCHEMBL17960722

Cc1cc2nc(P(c3ccccc3)c3ccccc3)n(C(=O)N(C(C)C)C(C)C)c2cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 2/20 0.37
▸ AMY1A P0DUB6 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ SI P14410 2/20 0.37
▸ MGAM2 Q2M2H8 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ THRB P10828 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34

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
SCHEMBL17960699 0.87 LMNA (0.36) MGAMAMY1AGAASIMGAM2
SCHEMBL16596922 0.85 LMNA (0.48) LMNAALDH1A1MAPTTSHRKMT2A
SCHEMBL17975242 0.83 MGAM (0.41) MGAMAMY1AGAASIMGAM2
SCHEMBL17960575 0.81 PTGES (0.35) MGAMAMY1AGAASIMGAM2
SCHEMBL17960724 0.79 PTGES (0.36) GAALMNAALDH1A1MAPTKDM4E
SCHEMBL16596912 0.77 PTGES (0.42) GAALMNAALDH1A1KDM4EHPGD
SCHEMBL16596945 0.76 PTGES (0.41) GAALMNAALDH1A1KDM4EHPGD
SCHEMBL16596881 0.75 PTGES (0.37) MGAMAMY1AGAASIMGAM2
SCHEMBL13978408 0.74 ALDH1A1 (0.47) MGAMAMY1AGAASIMGAM2
SCHEMBL17960678 0.73 PTGES (0.33) ALDH1A1KDM4EHPGDTSHRPTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093692-B2 Phosphines, synthesis thereof and their use in catalysis THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2018-10-09 — — US claimed
US-20160222042-A1 NOVEL PHOSPHINES, SYNTHESIS THEREOF AND THEIR USE IN CATALYSIS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2016-08-04 — — US claimed
US-10093692-B2 Phosphines, synthesis thereof and their use in catalysis THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2018-10-09 — — US disclosed
US-20160222042-A1 NOVEL PHOSPHINES, SYNTHESIS THEREOF AND THEIR USE IN CATALYSIS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2016-08-04 — — US disclosed
US-20160222042-A1 NOVEL PHOSPHINES, SYNTHESIS THEREOF AND THEIR USE IN CATALYSIS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2016-08-04 — — 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 (2 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-20160222042-A1 NOVEL PHOSPHINES, SYNTHESIS THEREOF AND THEIR USE IN CATALYSIS PHOSPHO1, PPIP5K2, PDXK MGAM 812/4885AMY1A 2867/4885GAA 2476/4885
US-10093692-B2 Phosphines, synthesis thereof and their use in catalysis PPIP5K2, PHOSPHO1, ITPA MGAM 754/4885AMY1A 3195/4885GAA 2219/4885

“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.

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