SCHEMBL962958

SCHEMBL962958

Cc1cc2c(C)c(Cc3ccnc(N)c3F)c(=O)oc2cc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 10/20 0.45
MAP2K1 Q02750 10/20 0.45
CYP2C9 P11712 3/20 0.45
BRAF P15056 1/20 0.45
MAP2K2 P36507 1/20 0.45
MAP2K5 Q13163 1/20 0.45
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
NQO1 P15559 4/20 0.40
KDM4E B2RXH2 3/20 0.39
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
HSD17B3 P37058 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL960890 0.92 RAF1 (0.45) RAF1MAP2K1CYP2C9BRAFMAP2K2
SCHEMBL964820 0.90 TP53 (0.49) RAF1MAP2K1CYP2C9BRAFMAP2K2
SCHEMBL960242 0.90 MCL1 (0.40) RAF1MAP2K1CYP2C9BRAFMAP2K2
SCHEMBL960619 0.88 MAP2K1 (0.42) RAF1MAP2K1CYP2C9BRAFMAP2K2
SCHEMBL960904 0.86 HSD17B3 (0.56) RAF1MAP2K1CYP2C9BRAFMAP2K2
SCHEMBL30615264 0.86 HSD17B3 (0.56) RAF1MAP2K1CYP2C9BRAFMAP2K2
SCHEMBL960632 0.82 MAP2K1 (0.55) RAF1MAP2K1CYP2C9BRAFMAP2K2
SCHEMBL15901772 0.82 RAF1 (0.52) RAF1MAP2K1CYP2C9BRAFMAP2K2
SCHEMBL27858977 0.82 RAF1 (0.43) RAF1MAP2K1CYP2C9BRAFMAP2K2
SCHEMBL961450 0.80 NQO1 (0.47) RAF1MAP2K1NQO1KDM4EGLA

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722014-B2 1 H-[1, 2, 3] triazole substituted amino acids and uses thereof WASHINGTON UNIVERSITY (US) 2014-05-13 US disclosed
EP-2172198-B1 p27 PROTEIN INDUCER CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-04-16 EP disclosed
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-8569378-B2 p27 protein inducer Sakai, Toshiyuki (JP) 2013-10-29 US 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
US-8278465-B2 Coumarin derivative having antitumor activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-02 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-7897792-B2 Coumarin derivative having antitumor activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-03-01 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
US-20110009398-A1 p27 Protein Inducer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-01-13 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
US-20100004233-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-01-07 US disclosed
US-20100004233-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-01-07 US 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 (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-20110009398-A1 p27 Protein Inducer CDKN1A, CDK2, SKP2 RAF1 1656/4885MAP2K1 1179/4885CYP2C9 2989/4885
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 RAF1 438/4885MAP2K1 3163/4885CYP2C9 448/4885

“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.