SCHEMBL4770504

SCHEMBL4770504

CCN1CCN(c2nc(C#Cc3ccc(OC)cc3OC)cc3ccccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NTSR1 P30989 2/20 0.40
LMNA P02545 2/20 0.39
RAB9A P51151 1/20 0.39
NOD2 Q9HC29 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTR2A P28223 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38

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 SCHEMBL6292066 0.99 MAPK1 (0.42) MAPK1MAPTMEN1KMT2ANTSR1
SCHEMBL4764720 0.86 SMN1; SMN2 (0.41) MAPK1MAPTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL6289289 0.85 KMT2A (0.41) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL4774677 0.82 LMNA (0.47) MAPK1MAPTMEN1KMT2ANTSR1
Hydrochloric Acid SCHEMBL4772567 0.81 LMNA (0.47) MAPK1MAPTMEN1KMT2ANTSR1
SCHEMBL4769162 0.80 KDM4E (0.48) MAPK1MAPTMEN1KMT2ALMNA
SCHEMBL4764486 0.80 SMN1; SMN2 (0.39) MAPTMEN1KMT2ALMNAKDM4E
Hydrochloric Acid SCHEMBL4771973 0.79 KDM4E (0.48) MAPK1MAPTMEN1KMT2ANTSR1
SCHEMBL4774473 0.79 SMN1; SMN2 (0.47) MAPTMEN1KMT2ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL4772876 0.78 KMT2A (0.47) MAPTMEN1KMT2ALMNASMN1; SMN2

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 MAPK1 1599/4885MAPT 1892/4885MEN1 786/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MAPK1 1787/4885MAPT 3756/4885MEN1 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.