SCHEMBL19634034

SCHEMBL19634034

CCCCCCC(C)(C)Cc1cncnc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR2 P34972 10/20 0.34
CNR1 P21554 8/20 0.33
PLA2G7 Q13093 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
MMP1 P03956 1/20 0.30

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
SCHEMBL19176959 0.93 TDP1 (0.34) TDP1L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL22430399 0.80 TDP1 (0.58) TDP1L3MBTL1CNR2CNR1MMP1
SCHEMBL27490625 0.74 SLC6A2 (0.45) MEN1KMT2ASMN1; SMN2MMP1MMP9
SCHEMBL2782164 0.74 SLC6A2 (0.45) MEN1KMT2ASMN1; SMN2MMP1MMP9
SCHEMBL19251174 0.74 CNR2 (0.38) TDP1L3MBTL1CNR2CNR1
SCHEMBL18935500 0.74 CNR2 (0.38) TDP1L3MBTL1CNR2CNR1
SCHEMBL20927117 0.74 CNR2 (0.47) CNR2CNR1
SCHEMBL19251185 0.74 CNR2 (0.38) TDP1L3MBTL1CNR2CNR1
SCHEMBL19251056 0.74 CNR2 (0.38) TDP1L3MBTL1CNR2CNR1
SCHEMBL18852713 0.73 CNR2 (0.37) TDP1L3MBTL1CNR2CNR1

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-10507209-B2 Quinazoline derivatives substituted by aniline, preparation method and use thereof XUANZHU PHARMA CO, LTD. (CN) 2019-12-17 US disclosed
US-20170333433-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF XUANZHU PHARMA CO, LTD. (CN) 2017-11-23 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-20170333433-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF NQO2, CHRM1, CHRM2 TDP1 3804/4885L3MBTL1 2587/4885CNR2 186/4885
US-10507209-B2 Quinazoline derivatives substituted by aniline, preparation method and use thereof NQO2, CHRM1, CHRM2 TDP1 3804/4885L3MBTL1 2587/4885CNR2 186/4885

“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.