SCHEMBL5044997

SCHEMBL5044997

Cc1ccc2c3c(ccnc13)-c1ccccc1N2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.49
MDM2 Q00987 1/20 0.40
JAK2 O60674 10/20 0.38
TOP2A P11388 1/20 0.37
LRRK2 Q5S007 2/20 0.36
CSNK1G1 Q9HCP0 1/20 0.36
CHEK1 O14757 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
KIT P10721 1/20 0.34
JAK3 P52333 1/20 0.34
MAP4K2 Q12851 1/20 0.34
ALK Q9UM73 1/20 0.34
ROS1 P08922 1/20 0.34
CDK5 Q00535 1/20 0.34
ACVR1 Q04771 1/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL9386045 0.82 AHR (0.47) AHRMDM2JAK2TOP2ALRRK2
SCHEMBL25777055 0.81 TOP2A (0.48) AHRMDM2JAK2TOP2AMAPT
SCHEMBL421641 0.73 AHR (0.54) AHRMDM2JAK2LRRK2MAPT
SCHEMBL29969658 0.73 AHR (0.60) AHRMDM2JAK2TOP2AKIT
SCHEMBL20990490 0.66 AHR (1.00) AHRMDM2JAK2TOP2AKIT
SCHEMBL11804205 0.65 CCR1 (0.54)
SCHEMBL17402501 0.64 ALDH1A1 (0.54) AHRLRRK2TP53MAPTACVR1
SCHEMBL30462618 0.64 LRRK2 (0.59) LRRK2CSNK1G1CHEK1MAPTROS1
SCHEMBL181764 0.64 LRRK2 (0.59) LRRK2CSNK1G1CHEK1MAPTROS1
SCHEMBL17816635 0.64 LRRK2 (0.59) LRRK2CSNK1G1CHEK1MAPTROS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994003433-A1 BIOLOGICAL APPLICATIONS OF ALKALOIDS DERIVED FROM THE TUNICATE EUDISTOMA sp. THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1994-02-17 WO claimed
EP-1663239-A4 POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER CEDARS SINAI MEDICAL CENTER (US) 2008-07-23 EP disclosed
EP-1663239-A2 POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER CEDARS-SINAI MEDICAL CENTER (US) 2006-06-07 EP disclosed
US-20050089473-A1 Potassium channel mediated delivery of agents through the blood-brain barrier CEDARS-SINAI MEDICAL CENTER 2005-04-28 US disclosed
WO-2005025511-A2 POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER CEDARS-SINAI MEDICAL CENTER (US) 2005-03-24 WO disclosed
US-5432172-A Biological applications of alkaloids derived from the tunicate Eudistoma sp. THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1995-07-11 US disclosed
US-5432172-A Biological applications of alkaloids derived from the tunicate Eudistoma sp. THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1995-07-11 US disclosed
WO-1994003433-A1 BIOLOGICAL APPLICATIONS OF ALKALOIDS DERIVED FROM THE TUNICATE EUDISTOMA sp. THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1994-02-17 WO disclosed
WO-1994003433-A1 BIOLOGICAL APPLICATIONS OF ALKALOIDS DERIVED FROM THE TUNICATE EUDISTOMA sp. THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1994-02-17 WO disclosed
US-5278168-A Biological applications of alkaloids derived from the tunicate Eudistoma sp. THE RESEARCH FOUNDATION OF STATE UNIVERISTY OF NEW YORK (US) 1994-01-11 US disclosed
US-5278168-A Biological applications of alkaloids derived from the tunicate Eudistoma sp. THE RESEARCH FOUNDATION OF STATE UNIVERISTY OF NEW YORK (US) 1994-01-11 US 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-20050089473-A1 Potassium channel mediated delivery of agents through the blood-brain barrier KCNN2, KCNN1, KCNN3 AHR 3307/4885MDM2 3883/4885JAK2 854/4885

“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.