SCHEMBL3307419

SCHEMBL3307419

COC(=O)/C(O)=C/C(=O)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
KDM4E B2RXH2 5/20 0.50
NPC1 O15118 4/20 0.50
PKM P14618 4/20 0.50
RAB9A P51151 4/20 0.50
LMNA P02545 3/20 0.50
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
NAPRT Q6XQN6 1/20 0.49
P4HTM Q9NXG6 1/20 0.49
ATM Q13315 1/20 0.46
KRAS P01116 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
POLB P06746 1/20 0.44
GPR52 Q9Y2T5 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL3307424 1.00 MAPT (0.50) MAPTKDM4ENPC1PKMRAB9A
SCHEMBL12282753 0.84 MAPT (0.47) MAPTKDM4ENPC1PKMRAB9A
SCHEMBL3310895 0.82 MAPT (0.57) MAPTKDM4ENPC1PKMRAB9A
SCHEMBL3310903 0.82 MAPT (0.57) MAPTKDM4ENPC1PKMRAB9A
SCHEMBL3310899 0.82 MAPT (0.57) MAPTKDM4ENPC1PKMRAB9A
SCHEMBL3309986 0.80 P2RX7 (0.37) MAPTKDM4ENPC1PKMRAB9A
SCHEMBL3309984 0.80 P2RX7 (0.37) MAPTKDM4ENPC1PKMRAB9A
SCHEMBL10123164 0.76 ALDH1A1 (0.62) MAPTKDM4ENPC1PKMRAB9A
SCHEMBL2232370 0.76 NFE2L2 (0.53) MAPTNPC1PKMRAB9ALMNA
SCHEMBL3310563 0.76 NFE2L2 (0.53) MAPTNPC1PKMRAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-06-19 US claimed
US-11339165-B2 Pyrazolopyrimidines having activity against the respiratory syncytial virus (RSV) Janssen Sciences Ireland Unlimited Company (IE) 2022-05-24 US disclosed
US-11339165-B2 Pyrazolopyrimidines having activity against the respiratory syncytial virus (RSV) Janssen Sciences Ireland Unlimited Company (IE) 2022-05-24 US disclosed
EP-3717486-B1 PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST THE RESPIRATORY SYNCYTIAL VIRUS (RSV) JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2022-03-23 EP disclosed
US-20200361942-A1 PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST THE RESPIRATORY SYNCYTIAL VIRUS (RSV) Janssen Sciences Ireland Unlimited Company (IE) 2020-11-19 US disclosed
US-20200361942-A1 PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST THE RESPIRATORY SYNCYTIAL VIRUS (RSV) Janssen Sciences Ireland Unlimited Company (IE) 2020-11-19 US disclosed
EP-3717486-A1 PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST THE RESPIRATORY SYNCYTIAL VIRUS (RSV) Janssen Sciences Ireland Unlimited Company (IE) 2020-10-07 EP disclosed
US-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-06-19 US disclosed
US-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-06-19 US disclosed
US-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-06-19 US disclosed
US-8664255-B2 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-03-04 US disclosed
US-8664255-B2 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-03-04 US disclosed
US-8664255-B2 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-03-04 US disclosed
US-20100113477-A1 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof TEXAS A&M UNIVERSITY SYSTEM, THE 2010-05-06 US disclosed
US-20100113477-A1 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof TEXAS A&M UNIVERSITY SYSTEM, THE 2010-05-06 US disclosed
US-20100113477-A1 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof TEXAS A&M UNIVERSITY SYSTEM, THE 2010-05-06 US disclosed
WO-2010047774-A2 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE, METHODS OF MARKING AND USES THEREOF THE TEXAS A & M UNIVERSITY SYSTEM (US) 2010-04-29 WO 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 (4 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-20100113477-A1 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof ME3, ME1, MDH1 MAPT 1964/4885KDM4E 1397/4885NPC1 2680/4885
US-20200361942-A1 PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST THE RESPIRATORY SYNCYTIAL VIRUS (RSV) RRP15, MAVS, ACE MAPT 4030/4885KDM4E 2862/4885NPC1 3056/4885
US-11339165-B2 Pyrazolopyrimidines having activity against the respiratory syncytial virus (RSV) RRP15, MAVS, ACE MAPT 4030/4885KDM4E 2862/4885NPC1 3056/4885
US-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof ME3, ME1, MDH1 MAPT 1964/4885KDM4E 1397/4885NPC1 2680/4885

“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.