SCHEMBL6356529

SCHEMBL6356529

C(=Nc1ccccc1-c1ccccc1N=Cc1cc2ccccc2cn1)c1cc2ccccc2cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.40
CYP1A2 P05177 3/20 0.39
CYP2A6 P11509 1/20 0.39
PDPK1 O15530 1/20 0.39
ALDH1A1 P00352 9/20 0.37
HPGD P15428 9/20 0.37
HSD17B10 Q99714 3/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
PLAU P00749 1/20 0.37
MAPT P10636 6/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
KDM4E B2RXH2 6/20 0.34
SMN1; SMN2 Q16637 7/20 0.33
RAB9A P51151 6/20 0.33
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
GLA P06280 4/20 0.33

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
SCHEMBL6051947 0.87 PLAU (0.38) NPC1CYP1A2CYP2A6PDPK1ALDH1A1
SCHEMBL8719617 0.75 NPC1 (0.50) NPC1CYP1A2CYP2A6PDPK1ALDH1A1
SCHEMBL8719613 0.75 NPC1 (0.50) NPC1CYP1A2CYP2A6PDPK1ALDH1A1
SCHEMBL1202061 0.72 CYP2A6 (0.48) NPC1CYP1A2CYP2A6PDPK1ALDH1A1
SCHEMBL29956635 0.72 CYP2A6 (0.48) NPC1CYP1A2CYP2A6PDPK1ALDH1A1
SCHEMBL28318632 0.71 CYP2A6 (0.47) NPC1CYP1A2CYP2A6PDPK1ALDH1A1
SCHEMBL8150996 0.69 CYP1A2 (0.48) NPC1CYP1A2CYP2A6PDPK1PLAU
SCHEMBL2338713 0.69 CYP1A2 (0.48) NPC1CYP1A2CYP2A6PDPK1ALDH1A1
SCHEMBL20569113 0.66 CYP1A2 (0.39) NPC1CYP1A2CYP2A6PDPK1PLAU
SCHEMBL20569115 0.66 CYP1A2 (0.39) NPC1CYP1A2CYP2A6PDPK1PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140057877-A1 Therapeutic polyamine compositions and their synthesis MURPHY MICHAEL A (US) 2014-02-27 US disclosed
US-20050085555-A1 Composition, synthesis and therapeutic applications of polyamines MURPHY, MICHAEL A. 2005-04-21 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 (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-20050085555-A1 Composition, synthesis and therapeutic applications of polyamines PRDX5, PINK1, ARG2 NPC1 3507/4885CYP1A2 1348/4885CYP2A6 2878/4885
US-20140057877-A1 Therapeutic polyamine compositions and their synthesis MCU, PC, PINK1 NPC1 3257/4885CYP1A2 1363/4885CYP2A6 2941/4885

“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.