SCHEMBL7644201

SCHEMBL7644201

CC(=N)Nc1ccc2oc(-c3ccc(O)nc3)c(O)c(=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.46
KDM4E B2RXH2 7/20 0.46
CYP3A4 P08684 7/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
HSD17B10 Q99714 6/20 0.46
CYP2C9 P11712 3/20 0.46
TP53 P04637 9/20 0.44
CSNK2A2 P19784 4/20 0.44
CSNK2B P67870 4/20 0.44
CSNK2A1 P68400 4/20 0.44
RXFP1 Q9HBX9 3/20 0.43
MKNK2 Q9HBH9 1/20 0.41
DHFR P00374 1/20 0.41
CYP1A2 P05177 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 5/20 0.41
CASP1 P29466 3/20 0.41
CASP7 P55210 3/20 0.41
SNCA P37840 1/20 0.40

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
Hydrochloric Acid SCHEMBL925348 0.99 MAPT (0.45) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL926217 0.88 CSNK2A2 (0.47) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL7643991 0.83 MEN1 (0.58) MAPTKDM4ECYP3A4MEN1KMT2A
Hydrochloric Acid SCHEMBL925356 0.82 MEN1 (0.57) MAPTKDM4ECYP3A4MEN1KMT2A
Hydrochloric Acid SCHEMBL928010 0.82 PPARG (0.40) MAPTKDM4ECYP3A4HSD17B10CYP2C9
SCHEMBL7639410 0.81 CSNK2A2 (0.66) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL7642172 0.80 MAPT (0.49) MAPTKDM4ECYP3A4MEN1KMT2A
Hydrochloric Acid SCHEMBL1032906 0.80 MAPT (0.44) MAPTKDM4ECYP3A4MEN1KMT2A
Hydrochloric Acid SCHEMBL925563 0.80 MAPT (0.48) MAPTKDM4ECYP3A4MEN1KMT2A
Hydrochloric Acid SCHEMBL926030 0.80 CSNK2A2 (0.64) MAPTKDM4ECYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372866-B2 2-aryl and 2-heteroaryl 4H-1-benzopyran-4-one-6-amidino derivatives, new pharmacological agents for the treatment of arthritis, cancer and related pain ROTTAPHARM S.P.A. (IT) 2013-02-12 US disclosed
US-8372866-B2 2-aryl and 2-heteroaryl 4H-1-benzopyran-4-one-6-amidino derivatives, new pharmacological agents for the treatment of arthritis, cancer and related pain ROTTAPHARM S.P.A. (IT) 2013-02-12 US disclosed
EP-2268628-B1 2-ARYL AND 2 -HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN ROTTAPHARM SPA (IT) 2012-05-16 EP disclosed
US-20110003861-A1 2-ARYL AND 2-HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES, NEW PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN ROTTAPHARM S.P.A. (IT) 2011-01-06 US disclosed
US-20110003861-A1 2-ARYL AND 2-HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES, NEW PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN ROTTAPHARM S.P.A. (IT) 2011-01-06 US disclosed
WO-2009109230-A1 2-ARYL AND 2 -HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN ROTTAPHARM S.P.A. (IT) 2009-09-11 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 (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-20110003861-A1 2-ARYL AND 2-HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES, NEW PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN NAT1, AADAC, OPRL1 MAPT 4791/4885KDM4E 3085/4885CYP3A4 460/4885

“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.