SCHEMBL7638451

SCHEMBL7638451

CC(=N)Nc1ccc2oc(-c3cccc(-n4ccnc4)c3)c(O)c(=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.44
CYP1A2 P05177 1/20 0.44
KCNH2 Q12809 1/20 0.44
MAPT P10636 8/20 0.41
KDM4E B2RXH2 7/20 0.41
TP53 P04637 5/20 0.41
CSNK2A2 P19784 2/20 0.41
CSNK2B P67870 2/20 0.41
CSNK2A1 P68400 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MKNK2 Q9HBH9 1/20 0.40
MEN1 O00255 6/20 0.40
CYP3A4 P08684 6/20 0.40
KMT2A Q03164 6/20 0.40
CYP2C9 P11712 4/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 3/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 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
SCHEMBL7643373 0.90 MKNK2 (0.44) DHFRCYP1A2KCNH2MAPTKDM4E
Hydrochloric Acid SCHEMBL926326 0.89 MKNK2 (0.43) DHFRCYP1A2KCNH2MAPTKDM4E
SCHEMBL7642120 0.81 TNIK (0.48) MAPTKDM4ETP53CSNK2A2CSNK2B
SCHEMBL7637778 0.77 CSNK2A2 (0.40) MAPTKDM4ETP53CSNK2A2CSNK2B
SCHEMBL7643991 0.76 MEN1 (0.58) DHFRCYP1A2KCNH2MAPTKDM4E
SCHEMBL7638899 0.76 MKNK2 (0.40) MAPTKDM4ETP53CSNK2A2CSNK2B
Hydrochloric Acid SCHEMBL925356 0.75 MEN1 (0.57) DHFRCYP1A2KCNH2MAPTKDM4E
SCHEMBL7640696 0.75 CYP19A1 (0.43) CYP3A4CYP2D6ABCB1
Hydrochloric Acid SCHEMBL928145 0.74 MKNK2 (0.38) MAPTKDM4ETP53CSNK2A2CSNK2B
SCHEMBL7644201 0.74 MAPT (0.46) DHFRCYP1A2KCNH2MAPTKDM4E

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 DHFR 1905/4885CYP1A2 115/4885KCNH2 2196/4885

“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.