SCHEMBL15217635

SCHEMBL15217635

NCc1cc(O)c2ncccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 15/20 0.53
L3MBTL1 Q9Y468 10/20 0.53
NPC1 O15118 8/20 0.53
RAB9A P51151 7/20 0.53
COMT P21964 2/20 0.52
MMP2 P08253 1/20 0.52
CHRM1 P11229 1/20 0.52
TSHR P16473 1/20 0.52
ADRA1A P35348 1/20 0.52
METAP2 P50579 1/20 0.52
METAP1 P53582 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
HTT P42858 1/20 0.50
CASP6 P55212 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL686939 0.83 KDM4E (0.53) KDM4EL3MBTL1NPC1RAB9ACOMT
SCHEMBL28864802 0.79 LOXL2 (0.42) KDM4EL3MBTL1NPC1RAB9AMMP2
SCHEMBL15217628 0.79 KDM4E (0.56) KDM4EL3MBTL1NPC1RAB9ACOMT
SCHEMBL3432556 0.79 KDM4E (0.52) KDM4EL3MBTL1NPC1RAB9ACOMT
SCHEMBL6897816 0.79 KDM4E (0.49) KDM4EL3MBTL1NPC1RAB9ACOMT
SCHEMBL20122351 0.79 KDM4E (0.49) KDM4EL3MBTL1NPC1RAB9ACOMT
SCHEMBL6526164 0.77 KDM4E (0.62) KDM4EL3MBTL1NPC1RAB9ACOMT
SCHEMBL11808148 0.76 COMT (0.61) KDM4EL3MBTL1NPC1RAB9ACOMT
Quinoline SCHEMBL28161056 0.75 KDM4E (0.49) KDM4EL3MBTL1NPC1RAB9ACOMT
SCHEMBL11686678 0.75 TRPV1 (0.59) KDM4EL3MBTL1NPC1RAB9A

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-9233995-B2 Quinazoline derivatives and quinazoline complex protein kinase inhibitor for inhibiting multiplication of tumor cells and preparation method thereof INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-01-12 US disclosed
US-20130225811-A1 QUINAZOLINE DERIVATIVES AND QUINAZOLINE COMPLEX PROTEIN KINASE INHIBITOR FOR INHIBITING MULTIPLICAITON OF TUMOR CELLS AND PREPARATION METHOD THEREOF INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCE (CN) 2013-08-29 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 (1 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-20130225811-A1 QUINAZOLINE DERIVATIVES AND QUINAZOLINE COMPLEX PROTEIN KINASE INHIBITOR FOR INHIBITING MULTIPLICAITON OF TUMOR CELLS AND PREPARATION METHOD THEREOF MAP3K21, MAP3K15, MAP3K14 KDM4E 1544/4885L3MBTL1 3021/4885NPC1 4124/4885

“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.