SCHEMBL15112827

SCHEMBL15112827

CN1CC2C(COc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3[N+](=O)[O-])C2C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.58
FBP1 P09467 2/20 0.56
KDR P35968 2/20 0.56
EPHB4 P54760 2/20 0.56
EPHA2 P29317 1/20 0.56
AURKA O14965 1/20 0.53
ERBB2 P04626 1/20 0.53
INSR P06213 1/20 0.53
PDGFRB P09619 1/20 0.53
FLT4 P35916 1/20 0.53
CLK1 P49759 1/20 0.53
TEK Q02763 1/20 0.53
AURKB Q96GD4 1/20 0.53

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
SCHEMBL15112826 0.92 EGFR (0.69) EGFRFBP1
SCHEMBL15112807 0.92 EGFR (0.69) EGFRFBP1
SCHEMBL18633108 0.92 EGFR (0.69) EGFRFBP1
SCHEMBL15090649 0.90 EPHA2 (0.55) EGFRFBP1KDREPHB4EPHA2
SCHEMBL15929510 0.90 EGFR (0.61) EGFRFBP1KDREPHB4AURKA
SCHEMBL15090714 0.90 FBP1 (0.54) EGFRFBP1KDREPHB4EPHA2
SCHEMBL15090624 0.86 EGFR (0.69) EGFR
SCHEMBL15112829 0.86 EGFR (0.61) EGFRFBP1KDREPHB4EPHA2
SCHEMBL1418175 0.86 EGFR (0.63) EGFRFBP1KDREPHB4EPHA2
SCHEMBL16212087 0.86 FBP1 (0.76) EGFRFBP1KDREPHB4AURKA

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 10 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
US-20170333433-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF XUANZHU PHARMA CO, LTD. (CN) 2017-11-23 US disclosed
US-20170304305-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2017-10-26 US disclosed
US-20170304305-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2017-10-26 US disclosed
US-9730934-B2 Quinazoline derivatives substituted by aniline, preparation method and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-08-15 US disclosed
US-9730934-B2 Quinazoline derivatives substituted by aniline, preparation method and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-08-15 US disclosed
EP-2612860-B1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2017-03-15 EP disclosed
US-20130184297-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2013-07-18 US disclosed
US-20130184297-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2013-07-18 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 (4 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-20170304305-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF NQO2, CHRM1, CHRM2 EGFR 983/4885FBP1 4301/4885KDR 2667/4885
US-20170333433-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF NQO2, CHRM1, CHRM2 EGFR 983/4885FBP1 4301/4885KDR 2667/4885
US-10507209-B2 Quinazoline derivatives substituted by aniline, preparation method and use thereof NQO2, CHRM1, CHRM2 EGFR 983/4885FBP1 4301/4885KDR 2667/4885
US-20130184297-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF NQO2, CHRM1, CHRM2 EGFR 983/4885FBP1 4301/4885KDR 2667/4885

“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.