SCHEMBL17941925

SCHEMBL17941925

CC(C)CNC(=O)c1ccc2cncnc2c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HPGD P15428 3/20 0.51
KDM4E B2RXH2 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
MLYCD O95822 1/20 0.45
EGFR P00533 4/20 0.44
NAMPT P43490 3/20 0.44
IMPDH2 P12268 1/20 0.43
KIT P10721 1/20 0.42
ACSS2 Q9NR19 1/20 0.42
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGDS O60760 1/20 0.41
HDAC4 P56524 1/20 0.41
NOTUM Q6P988 1/20 0.41

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
SCHEMBL6768809 0.80 EGFR (0.51) KDM4EEGFRNAMPTIMPDH2NOTUM
SCHEMBL1105475 0.75 EGFR (0.51) HPGDEGFRIMPDH2NOTUM
SCHEMBL30507829 0.75 CSNK2A1 (0.59) KDM4EEGFRIMPDH2NOTUM
SCHEMBL18614408 0.75 CSNK2A1 (0.59) KDM4EEGFRIMPDH2NOTUM
SCHEMBL30533141 0.74 EGFR (0.53) KMT2AGAAHPGDKDM4EEGFR
SCHEMBL12466410 0.74 EGFR (0.53) KMT2AGAAHPGDKDM4EEGFR
SCHEMBL16866256 0.73 GAA (0.68) KMT2AGAAHSD17B10HPGDKDM4E
SCHEMBL3028838 0.73 KMT2A (0.63) KMT2AGAAHSD17B10HPGDKDM4E
SCHEMBL17865783 0.73 MLYCD (0.73) KMT2AGAAHSD17B10HPGDKDM4E
SCHEMBL28850937 0.72 EGFR (0.51) EGFRNAMPTIMPDH2NOTUM

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 4 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
EP-3247705-A1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2017-11-29 EP disclosed
WO-2016118565-A1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-28 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 (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 KMT2A 308/4885GAA 3281/4885HSD17B10 4355/4885
US-20180009784-A1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF NAMPT, NQO2, NNMT KMT2A 308/4885GAA 3281/4885HSD17B10 4355/4885

“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.