SCHEMBL4773926

SCHEMBL4773926

C=Cc1cncc(N2CCOCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.37
CYP1A2 P05177 2/20 0.37
HTT P42858 1/20 0.37
CYP2D6 P10635 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
ALDH1A1 P00352 3/20 0.37
SMPD3 Q9NY59 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36
CYP2C9 P11712 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL19581824 0.81 KMT2A (0.41) PIM2KMT2AMEN1POLBMAPT
SCHEMBL24766459 0.74 CYP1A2 (0.49) KMT2AMEN1POLBMAPTCYP1A2
SCHEMBL245740 0.74 KMT2A (0.49) KMT2AMEN1POLBMAPTCYP1A2
SCHEMBL5524143 0.74 ALDH1A1 (0.44) PIM2KMT2AMEN1POLBMAPT
SCHEMBL9885000 0.74 KMT2A (0.53) KMT2AMEN1POLBMAPTCYP1A2
SCHEMBL12186838 0.74 KMT2A (0.41) PIM2KMT2AMEN1POLBMAPT
SCHEMBL3089415 0.74 KMT2A (0.64) PIM2KMT2AMEN1POLBMAPT
SCHEMBL4763503 0.71 ALDH1A1 (0.48) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL15582906 0.71 KMT2A (0.42) PIM2KMT2AMEN1POLBMAPT
SCHEMBL20153720 0.70 PIK3CA (0.45) PIM2POLBMAPTHTTALDH1A1

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 PIM2 3751/4885KMT2A 1240/4885MEN1 786/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PIM2 3223/4885KMT2A 1300/4885MEN1 1171/4885

“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.