SCHEMBL7972463

SCHEMBL7972463

Nc1ccnc2cc3ccccc3cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.59
PI4KA P42356 1/20 0.56
PI4K2B Q8TCG2 1/20 0.56
PI4K2A Q9BTU6 1/20 0.56
PI4KB Q9UBF8 1/20 0.56
POLB P06746 5/20 0.53
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 5/20 0.53
GAA P10253 3/20 0.53
KDM4E B2RXH2 3/20 0.53
LMNA P02545 3/20 0.53
HPGD P15428 3/20 0.53
GLA P06280 2/20 0.53
RAB9A P51151 2/20 0.53
RCE1 Q9Y256 2/20 0.53
NPC1 O15118 2/20 0.53
PTBP1 P26599 1/20 0.53
NR4A2 P43354 4/20 0.52
SOS2 Q07890 1/20 0.52
MAPT P10636 4/20 0.46

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
SCHEMBL10882579 0.80 NCF1 (0.46) NCF1PI4KAPI4K2BPI4K2API4KB
SCHEMBL7972118 0.76 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBPOLB
SCHEMBL7971711 0.76 MAPT (0.55) PI4KAPI4K2BPI4K2API4KBPOLB
SCHEMBL7985572 0.76 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBPOLB
SCHEMBL11332805 0.76 ALDH1A1 (0.50) PI4KAPI4K2BPI4K2API4KBPOLB
Quinolin-4-Amine SCHEMBL278276 0.74 NCF1 (1.00) NCF1PI4KAPI4K2BPI4K2API4KB
Quinolin-4-Amine SCHEMBL29493365 0.74 NCF1 (1.00) NCF1PI4KAPI4K2BPI4K2API4KB
SCHEMBL2790453 0.73 PIK3CA (0.57) PI4KAPI4K2BPI4K2API4KBPOLB
Quinolin-4-Amine SCHEMBL27779896 0.73 NCF1 (0.78) NCF1POLBKMT2AALDH1A1GAA
SCHEMBL10771544 0.73 NR4A2 (0.45) NCF1PI4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140050778-A1 NUCLEIC ACID BINDING COMPOUNDS, METHODS OF MAKING, AND USE THEREOF UNIVERSITY OF ROCHESTER (US) 2014-02-20 US disclosed
WO-2012092367-A1 NUCLEIC ACID BINDING COMPOUNDS, METHODS OF MAKING, AND USE THEREOF UNIVERSITY OF ROCHESTER (US) 2012-07-05 WO disclosed
US-6274596-B1 MICROBIOCIDES FOR DRUG RESISTANCE INFECTIONS ANADYS PHARMACEUTICALS, INC. 2001-08-14 US disclosed
WO-2000024389-A2 BENZOQUINOLINE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS ANADYS PHARMACEUTICALS, INC. (US) 2000-05-04 WO disclosed
US-6057287-A KUNITZ DOMAIN HAVING DISULFIDE BONDS AT CYSTINE 5-55, 14-38, 30-51 POSITIONS DYAX CORP. (US) 2000-05-02 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-20140050778-A1 NUCLEIC ACID BINDING COMPOUNDS, METHODS OF MAKING, AND USE THEREOF NSUN3, NSUN2, HNRNPF NCF1 736/4885PI4KA 4634/4885PI4K2B 4685/4885

“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.