Sugi Predict

Sugi Predict / Compounds / SCHEMBL7053595

SCHEMBL7053595

SCHEMBL7053595

C/C(=N\c1c(C)ccc2ccccc12)c1cccc(/C(C)=N/c2c(C)ccc3ccccc23)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.42
▸ CYP2A6 P11509 3/20 0.42
▸ CYP1A2 P05177 3/20 0.42
▸ ALDH1A1 P00352 6/20 0.40
▸ POLB P06746 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ AGTR1 P30556 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ HPGD P15428 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ THRB P10828 2/20 0.37
▸ PAX8 Q06710 1/20 0.36
▸ GRIN2D O15399 1/20 0.35

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
SCHEMBL7053596 1.00 TSHR (0.42) TSHRCYP2A6CYP1A2ALDH1A1POLB
SCHEMBL14280784 0.82 CYP1A2 (0.38) CYP1A2ALDH1A1POLBKMT2AAGTR1
SCHEMBL4606192 0.81 GRIN2D (0.42) TSHRCYP1A2ALDH1A1KMT2ATDP1
SCHEMBL4606190 0.81 GRIN2D (0.42) TSHRCYP1A2ALDH1A1KMT2ATDP1
SCHEMBL5587834 0.80 GRIN2D (0.41) TSHRCYP1A2ALDH1A1KMT2AHPGD
SCHEMBL28632579 0.80 GRIN2D (0.41) TSHRCYP1A2ALDH1A1KMT2AHPGD
SCHEMBL5693784 0.80 GRIN2D (0.41) TSHRCYP1A2ALDH1A1KMT2AHPGD
SCHEMBL30537959 0.80 GRIN2D (0.41) TSHRCYP1A2ALDH1A1KMT2AHPGD
SCHEMBL14280791 0.80 CYP1A2 (0.44) CYP2A6CYP1A2ALDH1A1POLBKMT2A
Hydrochloric Acid SCHEMBL6913575 0.78 GRIN2D (0.40) TSHRCYP1A2ALDH1A1KMT2ATDP1

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-20080021180-A1 CHROMIUM CATALYSTS ACTIVE IN OLEFIN POLYMERIZATION REPSOL QUIMICA, S.A. 2008-01-24 — — US disclosed
US-20080021180-A1 CHROMIUM CATALYSTS ACTIVE IN OLEFIN POLYMERIZATION REPSOL QUIMICA, S.A. 2008-01-24 — — US disclosed
US-6670434-B2 Transition metal complex SOLVAY POLYOLEFINS EUROPE-BELGIUM (SOCIETE ANONYME) (BE) 2003-12-30 — — US disclosed
US-20030018147-A1 Catalytic complexes and their use for polymerizing alpha-olefins SOLVAY POLYOLEFINS EUROPE-BELGIUM (BE) 2003-01-23 — — US disclosed
EP-1260515-A1 Catalytic complexes and their use for polymerizing alpha-olefins SOLVAY POLYOLEFINS EUROPE - BELGIUM (Société Anonyme) (BE) 2002-11-27 — — EP 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-20030018147-A1 Catalytic complexes and their use for polymerizing alpha-olefins POLA1, ETFB, POLB TSHR 3576/4885CYP2A6 341/4885CYP1A2 251/4885

“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.