SCHEMBL4712040

SCHEMBL4712040

O=c1[nH]c(-c2ccccc2F)nc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 9/20 0.68
▸ HPGD P15428 2/20 0.68
▸ KDM4E B2RXH2 1/20 0.68
▸ TNKS O95271 7/20 0.63
▸ TNKS2 Q9H2K2 7/20 0.63
▸ PARP2 Q9UGN5 2/20 0.63
▸ PARP1 P09874 4/20 0.63
▸ ALDH1A1 P00352 3/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ RAB9A P51151 2/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ PKM P14618 1/20 0.61
▸ MAPT P10636 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ APOBEC3G Q9HC16 1/20 0.56
▸ CYP1A1 P04798 1/20 0.55
▸ CYP1B1 Q16678 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ GAA P10253 1/20 0.55

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
SCHEMBL28646510 0.86 TNKS (0.67) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL17816407 0.84 TNKS (0.63) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL14159934 0.83 NPC1 (0.49) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL4712542 0.83 PTGES (0.53) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL3110381 0.83 TNKS (0.62) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL6695759 0.82 TNKS2 (0.81) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL28135155 0.82 GUSB (0.69) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL802560 0.81 GUSB (0.68) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL2606253 0.81 GUSB (0.68) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL29784109 0.81 GUSB (0.68) GUSBHPGDKDM4ETNKSTNKS2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106518789-B A method of synthesis Quinazol derivative 南京理工大学 2019-04-16 — — CN disclosed
CN-106518789-A Method for synthesis of quinazolinone derivative 南京理工大学 2017-03-22 — — CN disclosed
CN-106496146-A Catalytic regulation synthesis method of sulfonic acid ionic liquid of dihydro quinazolinone and quinazolinone derivative 江西师范大学 2017-03-15 — — CN disclosed
CN-106478525-A A kind of method of synthesis quinazolone 南京理工大学 2017-03-08 — — CN disclosed
US-8268857-B2 Compositions and methods for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-09-18 — — US disclosed
US-8268857-B2 Compositions and methods for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-09-18 — — US disclosed
US-8268857-B2 Compositions and methods for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-09-18 — — US disclosed
EP-1603908-B1 QUINAZOLINE DERIVATIVES AS TGF-BETA INHIBITORS MILLENNIUM PHARM INC (US) 2008-06-11 — — EP disclosed
US-20070142408-A1 Compositions and methods for inhibiting TGF-Beta MILLENNIUM PHARMACEUTICALS, INC. 2007-06-21 — — US disclosed
US-20070142408-A1 Compositions and methods for inhibiting TGF-Beta MILLENNIUM PHARMACEUTICALS, INC. 2007-06-21 — — US disclosed
US-20070142408-A1 Compositions and methods for inhibiting TGF-Beta MILLENNIUM PHARMACEUTICALS, INC. 2007-06-21 — — US disclosed
US-7189733-B2 Compositions and methods for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-03-13 — — US disclosed
US-7189733-B2 Compositions and methods for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-03-13 — — US disclosed
US-7189733-B2 Compositions and methods for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-03-13 — — US disclosed
EP-1603908-A1 QUINAZOLINE DERIVATIVES AS TGF-BETA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-12-14 — — EP disclosed
US-20040204431-A1 Compositions and methods for inhibiting TGF-beta MILLENNIUM PHARMACEUTICALS, INC. 2004-10-14 — — US disclosed
WO-2004081009-A1 QUINAZOLINE DERIVATIVES AS TGF-BETA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-09-23 — — WO disclosed
US-5849861-A Polyquinazolines and methods for their preparation HITACHI CHEMICAL CO., LTD. (JP) 1998-12-15 — — US disclosed
US-5686560-A TREATING A MONOMER WITH A BASE IN A DIPOLAR SOLVENT HITACHI CHEMICAL CO., LTD. (JP) 1997-11-11 — — 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-20040204431-A1 Compositions and methods for inhibiting TGF-beta TGFB1, TGFBR2, TGFB2 GUSB 800/4885HPGD 3156/4885KDM4E 1309/4885
US-20070142408-A1 Compositions and methods for inhibiting TGF-Beta TGFB1, TGFB2, TGFBR1 GUSB 539/4885HPGD 2485/4885KDM4E 1066/4885

“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.

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