SCHEMBL3843107

SCHEMBL3843107

CCC1Cc2ccc(OC)cc2C1=NO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP1 P53582 3/20 0.48
▸ ACHE P22303 1/20 0.46
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ APP P05067 1/20 0.44
▸ SNCA P37840 1/20 0.44
▸ MTNR1A P48039 4/20 0.38
▸ MTNR1B P49286 4/20 0.38
▸ GLA P06280 2/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ GMNN O75496 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL3843106 1.00 METAP1 (0.48) METAP1ACHEMEN1KMT2AALDH1A1
SCHEMBL3843643 0.78 METAP1 (0.70) METAP1ACHECYP19A1
SCHEMBL3842553 0.75 METAP1 (0.41) METAP1ACHEMEN1KMT2AALDH1A1
SCHEMBL3842551 0.75 METAP1 (0.41) METAP1ACHEMEN1KMT2AALDH1A1
SCHEMBL5232775 0.72 ACHE (0.47) ACHEMEN1KMT2AALDH1A1MAPT
SCHEMBL5232781 0.72 ACHE (0.47) ACHEMEN1KMT2AALDH1A1MAPT
SCHEMBL5232787 0.72 ACHE (0.47) ACHEMEN1KMT2AALDH1A1MAPT
SCHEMBL30462589 0.70 CYP19A1 (0.50) METAP1ACHEMEN1KMT2AALDH1A1
SCHEMBL14306761 0.69 METAP1 (0.72) METAP1ACHECYP19A1
SCHEMBL4622526 0.69 ACHE (0.46) METAP1ACHEMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446387-B1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN CO LLC (US) 2009-11-04 — — EP disclosed
US-7041672-B2 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC. (US) 2006-05-09 — — US disclosed
US-6992087-B2 Substituted aryl 1,4-pyrazine derivatives PFIZER INC (US) 2006-01-31 — — US disclosed
US-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC 2005-03-03 — — US disclosed
EP-1446387-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2004-08-18 — — EP disclosed
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2003-07-31 — — US disclosed
WO-2003045924-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-05 — — WO 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-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives HTR2C, HTR4, HTR5A METAP1 3112/4885ACHE 2442/4885MEN1 4846/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A METAP1 3112/4885ACHE 2442/4885MEN1 4846/4885

“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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