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Sugi Predict / Compounds / SCHEMBL1098713

SCHEMBL1098713

SCHEMBL1098713

Fc1c(F)c(F)c(Oc2ncnc3ccccc23)c(F)c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.55
▸ RAB9A P51151 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ LMNA P02545 2/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PI4KA P42356 1/20 0.43
▸ PI4K2B Q8TCG2 1/20 0.43
▸ PI4K2A Q9BTU6 1/20 0.43
▸ PI4KB Q9UBF8 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ ADORA2A P29274 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL3635988 0.83 EGFR (0.62) EGFRRAB9ANPC1L3MBTL1TSHR
SCHEMBL3979754 0.77 EGFR (0.69) EGFRRAB9ANPC1L3MBTL1TSHR
SCHEMBL3976229 0.72 EGFR (0.59) EGFRRAB9ANPC1L3MBTL1TSHR
SCHEMBL4364907 0.72 CYP1A2 (0.59) EGFRRAB9ANPC1L3MBTL1TSHR
SCHEMBL2177069 0.72 NCF1 (0.43) KDRBRAFMAPK14TNNI3K
SCHEMBL11286630 0.72 RAB9A (0.56) EGFRRAB9ANPC1L3MBTL1TSHR
SCHEMBL3983945 0.72 LMNA (0.49) EGFRRAB9ANPC1L3MBTL1TSHR
SCHEMBL4022956 0.72 EGFR (0.65) EGFRRAB9ANPC1CYP1A2CYP2C9
SCHEMBL30117773 0.72 RAB9A (0.56) EGFRRAB9ANPC1L3MBTL1TSHR
SCHEMBL7053228 0.72 RAB9A (0.56) EGFRRAB9ANPC1L3MBTL1TSHR

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 96 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871769-B1 CRYSTALLINE FORMS OF THE COMPOUND 4-(6-CHLORO-2,3-METHYLENEDIOXYANILINO)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-TETRAHYDROPYRAN-4-YLOXYQUINAZOLINE. ASTRAZENECA AB (SE) 2017-02-22 — — EP disclosed
US-8304417-B2 Crystalline forms of 4-(6-chloro-2,3-methylenedioxyanilino)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-tetrahydropyran-4-yloxyquinazoline ASTRAZENECA AB (SE) 2012-11-06 — — US disclosed
US-20120165351-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-06-28 — — US disclosed
US-8153643-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2012-04-10 — — US disclosed
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 — — EP disclosed
US-20100280042-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS HENNEQUIN LAURENT FRANCOIS ANDRE 2010-11-04 — — US disclosed
US-7696214-B2 Quinazoline derivatives for the treatment of tumours ASTRAZENECA AB (SE) 2010-04-13 — — US disclosed
US-20090233950-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-09-17 — — US disclosed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 — — US disclosed
US-20090099196-A1 Chemical Process ASTRAZENECA AB (SE) 2009-04-16 — — US disclosed
WO-2002092578-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 — — WO disclosed
WO-2002092579-A1 4-ANILINOQUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 — — WO disclosed
WO-2002085895-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-10-31 — — WO disclosed
WO-2002034744-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-05-02 — — WO disclosed
WO-2002030926-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-04-18 — — WO disclosed
WO-2002030924-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2002-04-18 — — WO disclosed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 — — WO disclosed
WO-2001094341-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2001-12-13 — — WO disclosed
EP-1117653-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2001-07-25 — — EP disclosed
WO-2000020402-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2000-04-13 — — 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 (5 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-20090099196-A1 Chemical Process CYP3A5, CYP3A43, CYP3A7 EGFR 2358/4885RAB9A 2223/4885NPC1 2298/4885
US-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 EGFR 1629/4885RAB9A 180/4885NPC1 1044/4885
US-20090233950-A1 QUINAZOLINE DERIVATIVES NQO2, CCNI, F12 EGFR 2066/4885RAB9A 291/4885NPC1 1837/4885
US-20120165351-A1 QUINAZOLINE DERIVATIVES AQP1, F12, AQP3 EGFR 1920/4885RAB9A 188/4885NPC1 1200/4885
US-20100280042-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS TPD52L2, NQO2, H1-5 EGFR 1723/4885RAB9A 485/4885NPC1 1765/4885

“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.