SCHEMBL19764530

SCHEMBL19764530

CC(C)NCc1cn2cccnc2n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.51
ALDH1A1 P00352 12/20 0.50
HPGD P15428 7/20 0.50
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
RAB9A P51151 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PKM P14618 1/20 0.48
HSD17B10 Q99714 2/20 0.47
RCE1 Q9Y256 1/20 0.47
RECQL P46063 1/20 0.47
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL19001247 0.83 KDM4E (0.55) KDM4EALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL21099837 0.80 KDM4E (0.52) KDM4EALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL18995944 0.80 KDM4E (0.52) KDM4EALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL21186363 0.80 KDM4E (0.55) KDM4EALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL8352732 0.77 KDM4E (0.59) KDM4EALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL10165840 0.74 KDM4E (0.47) KDM4EALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL9946224 0.74 KDM4E (0.56) KDM4EALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL2813856 0.74 KDM4E (0.58) KDM4EALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL9569958 0.74 KDM4E (0.58) KDM4EALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL9597409 0.74 KDM4E (0.58) KDM4EALDH1A1HPGDNPC1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10323018-B2 Quinazoline and quinoline compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-06-18 US disclosed
US-20180009784-A1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2018-01-11 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 (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-10323018-B2 Quinazoline and quinoline compounds and uses thereof NAMPT, NQO2, NNMT KDM4E 582/4885ALDH1A1 2122/4885HPGD 713/4885
US-20180009784-A1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF NAMPT, NQO2, NNMT KDM4E 582/4885ALDH1A1 2122/4885HPGD 713/4885

“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.