SCHEMBL4772003

SCHEMBL4772003

COc1ccc(C2=NC(=O)c3ccccc3C2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.45
KDM4E B2RXH2 5/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
POLB P06746 1/20 0.44
METAP1 P53582 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2E1 P05181 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2A6 P11509 1/20 0.43
CYP4B1 P13584 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP3A5 P20815 1/20 0.43
CYP2A7 P20853 1/20 0.43
CYP3A7 P24462 1/20 0.43

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
SCHEMBL4774292 0.90 HDAC4 (0.49) KDM4EKMT2AMEN1METAP1CYP3A4
SCHEMBL4763654 0.86 ALDH1A1 (0.47) PTPN1KDM4EKMT2AMEN1MAPT
SCHEMBL4774181 0.85 MEN1 (0.48) KDM4EKMT2AMEN1POLBCYP3A4
SCHEMBL4766921 0.82 MAPT (0.39) KDM4EMAPTMAPK1MAOBL3MBTL1
SCHEMBL4769027 0.81 NPC1 (0.46) PTPN1KDM4EKMT2AMEN1METAP1
SCHEMBL4771354 0.80 ABL1 (0.44) KDM4EKMT2AMEN1METAP1CYP3A4
SCHEMBL4773594 0.78 ALDH1A1 (0.43) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL4768931 0.78 CCR1 (0.47) KDM4EKMT2AMEN1METAP1CYP3A4
SCHEMBL4766311 0.77 MEN1 (0.48) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL4773477 0.75 METAP1 (0.55) KDM4EKMT2AMETAP1MAPTALDH1A1

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-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 PTPN1 4140/4885KDM4E 1050/4885KMT2A 1240/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PTPN1 4030/4885KDM4E 1058/4885KMT2A 1300/4885

“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.