SCHEMBL961010

SCHEMBL961010

Cc1c(Cc2cccc(N)c2)c(=O)oc2cc(-c3nccn3C)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 4/20 0.54
ACHE P22303 1/20 0.48
RAF1 P04049 2/20 0.47
KDM4E B2RXH2 9/20 0.46
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GLA P06280 1/20 0.46
HSD17B3 P37058 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
ALDH1A1 P00352 9/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
STS P08842 1/20 0.43
SRC P12931 1/20 0.42
ALDH1A2 O94788 1/20 0.42
ALDH1B1 P30837 1/20 0.42
ALDH1A3 P47895 1/20 0.42
HPGD P15428 3/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL959683 0.85 MAP2K1 (0.56) MAP2K1RAF1KDM4EGAANPSR1
SCHEMBL962865 0.85 MAP2K1 (0.58) MAP2K1RAF1STS
Ammonia Solution, Strong SCHEMBL27734064 0.84 KDM4E (0.42) MAP2K1RAF1KDM4EGAANPSR1
SCHEMBL959062 0.83 MAP2K1 (0.66) MAP2K1RAF1
SCHEMBL961453 0.83 MAP2K1 (0.58) MAP2K1ACHERAF1KDM4EGAA
SCHEMBL960505 0.83 MAP2K1 (0.54) MAP2K1ACHERAF1KDM4EGAA
SCHEMBL963393 0.81 MAP2K1 (0.54) MAP2K1ACHERAF1KDM4EGAA
SCHEMBL960747 0.80 MAP2K1 (0.55) MAP2K1ACHERAF1KDM4EGAA
Dimethylamine SCHEMBL961005 0.80 MAP2K1 (0.59) MAP2K1ACHERAF1KDM4EGAA
SCHEMBL12702201 0.79 MAP2K1 (0.66) MAP2K1ACHERAF1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172198-B1 p27 PROTEIN INDUCER CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-04-16 EP disclosed
US-8569378-B2 p27 protein inducer Sakai, Toshiyuki (JP) 2013-10-29 US disclosed
US-8278465-B2 Coumarin derivative having antitumor activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-02 US disclosed
EP-1982982-B1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-09-26 EP disclosed
US-20110092700-A1 Novel Coumarin Derivative Having Antitumor Activity IIKURA HITOSHI 2011-04-21 US disclosed
US-7897792-B2 Coumarin derivative having antitumor activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-03-01 US disclosed
US-20110009398-A1 p27 Protein Inducer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-01-13 US disclosed
EP-2172198-A1 p27 PROTEIN INDUCER Chugai Seiyaku Kabushiki Kaisha (JP) 2010-04-07 EP disclosed
US-20100004233-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-01-07 US disclosed
CN-101384577-A Novel coumarin derivative having antitumor activity SAKAI TOSHIYUKI (JP) 2009-03-11 CN disclosed
EP-1982982-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-10-22 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 (3 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-20110009398-A1 p27 Protein Inducer CDKN1A, CDK2, SKP2 MAP2K1 1179/4885ACHE 4715/4885RAF1 1656/4885
US-20110092700-A1 Novel Coumarin Derivative Having Antitumor Activity H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SULT1A1, SULT1E1 MAP2K1 3163/4885ACHE 4146/4885RAF1 438/4885
US-20100004233-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SULT1A1, SULT1E1 MAP2K1 3163/4885ACHE 4146/4885RAF1 438/4885

“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.