SCHEMBL4766073

SCHEMBL4766073

CCN1CCN(c2nc(-c3ccc(OC[C@H](C)O)cc3)cc3cccnc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.40
ACKR3 P25106 1/20 0.40
PDE4A P27815 1/20 0.38
PRKD1 Q15139 1/20 0.37
PRMT5 O14744 1/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
NTRK1 P04629 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT4 P35916 1/20 0.36
FLT3 P36888 1/20 0.36
KCNH2 Q12809 1/20 0.36
NTRK3 Q16288 1/20 0.36
KDM4E B2RXH2 4/20 0.36
TP53 P04637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 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
SCHEMBL6288612 1.00 CSF1R (0.40) CSF1RACKR3PDE4APRKD1PRMT5
Hydrochloric Acid SCHEMBL4775897 0.99 CSF1R (0.39) CSF1RACKR3PDE4APRKD1PRMT5
Hydrochloric Acid SCHEMBL4775910 0.99 CSF1R (0.39) CSF1RACKR3PDE4APRKD1PRMT5
SCHEMBL4768987 0.87 RAB9A (0.41) CSF1RACKR3PDE4APRKD1PRMT5
Hydrochloric Acid SCHEMBL4773147 0.86 RAB9A (0.41) CSF1RACKR3PDE4APRKD1PRMT5
SCHEMBL14102729 0.86 TP53 (0.43) PRMT5KMT2ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL4766181 0.86 TP53 (0.43) PRMT5KMT2ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL4775428 0.86 PIK3CA (0.47) PRKD1KMT2ASMN1; SMN2L3MBTL1CYP1A2
Hydrochloric Acid SCHEMBL4773732 0.85 ALDH1A1 (0.42) PRMT5KMT2ASMN1; SMN2L3MBTL1CYP1A2
Hydrochloric Acid SCHEMBL4765800 0.85 PIK3CA (0.47) PRKD1KMT2ASMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US claimed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP claimed
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 CSF1R 4389/4885ACKR3 4550/4885PDE4A 1074/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 CSF1R 4618/4885ACKR3 3718/4885PDE4A 1066/4885

“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.