SCHEMBL19001265

SCHEMBL19001265

CC(C)NCc1nc2cnccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
KDM4C Q9H3R0 2/20 0.38
AAK1 Q2M2I8 2/20 0.37
MYC P01106 1/20 0.37
KDM4E B2RXH2 1/20 0.36
DDAH1 O94760 1/20 0.36
ALPL P05186 1/20 0.35
MAPK1 P28482 1/20 0.35
LATS1 O95835 1/20 0.34
LATS2 Q9NRM7 1/20 0.34
KRAS P01116 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL21099035 0.87 LATS1 (0.40) PKMKDM4CAAK1KDM4EDDAH1
SCHEMBL17196182 0.83 PKM (0.61) PKMKDM4CKDM4EDDAH1KRAS
SCHEMBL13899002 0.80 PKM (0.66) PKMMYCKDM4EDDAH1ALPL
SCHEMBL26415237 0.80 MAPT (0.51) KDM4CAAK1KDM4EDDAH1ALPL
SCHEMBL18995939 0.79 PKM (0.42) PKMKDM4CKDM4EDDAH1LATS1
SCHEMBL10206036 0.77 DDAH1 (0.59) KDM4CDDAH1KRASGAA
SCHEMBL23742762 0.75 MPO (0.46) PKMMYCKDM4EDDAH1ALPL
SCHEMBL27140579 0.75 SMN1; SMN2 (0.45) KDM4EGAASMN1; SMN2
SCHEMBL23742758 0.75 TDP1 (0.44) PKMKDM4EGAASMN1; SMN2
SCHEMBL9851482 0.74 KDM4C (0.63) KDM4CAAK1KDM4EDDAH1

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 3 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
US-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-22 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 (3 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 PKM 3365/4885KDM4C 1025/4885AAK1 3148/4885
US-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NAMPT, NQO2, NNMT PKM 1563/4885KDM4C 918/4885AAK1 3307/4885
US-20180009784-A1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF NAMPT, NQO2, NNMT PKM 3365/4885KDM4C 1025/4885AAK1 3148/4885

“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.