SCHEMBL3527436

SCHEMBL3527436

S=c1[nH]cnc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.60
CYP3A4 P08684 2/20 0.49
ALOX5 P09917 1/20 0.46
IMPDH2 P12268 1/20 0.46
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
NSD2 O96028 1/20 0.44
ABL1 P00519 1/20 0.44
PPARG P37231 1/20 0.44
RIN1 Q13671 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
MAOB P27338 3/20 0.44
GRM4 Q14833 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAOA P21397 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MDH2 P40926 1/20 0.43

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
SCHEMBL1012325 0.83 IP6K1 (0.80) IP6K1CYP3A4CTSVCTSLNSD2
SCHEMBL4116942 0.80 IP6K1 (0.62) IP6K1CYP3A4ALOX5IMPDH2CTSV
SCHEMBL3528857 0.76 KDM1A (0.53) IP6K1CTSVCTSLHPGDKDM4E
SCHEMBL22725987 0.72 IP6K1 (0.60) IP6K1IMPDH2CTSVCTSLNSD2
SCHEMBL311094 0.71 CYP3A4 (0.58) IP6K1CYP3A4ALOX5MAOBGRM4
SCHEMBL30153587 0.71 CYP3A4 (0.58) IP6K1CYP3A4ALOX5MAOBGRM4
SCHEMBL5465811 0.71 MEN1 (0.55) IP6K1CYP3A4ALOX5MAOBGRM4
SCHEMBL29878333 0.71 CYP3A4 (0.58) IP6K1CYP3A4ALOX5CTSVCTSL
SCHEMBL856483 0.71 CYP3A4 (0.51) IP6K1CYP3A4ALOX5MAOBGRM4
SCHEMBL3898712 0.71 CYP3A4 (0.58) IP6K1CYP3A4ALOX5CTSVCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709479-B1 Quinazoline derivatives and their use as pharmaceuticals ASTRAZENECA (SE) 2010-05-04 US disclosed
US-7498335-B2 Method of producing an antiangiogenic or vascular permeability reducing effect ASTRAZENECA AB (CH) 2009-03-03 US disclosed
EP-1218353-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LTD (GB) 2007-10-17 EP disclosed
EP-1005470-B1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2007-08-01 EP disclosed
EP-1272185-B1 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-07-27 EP disclosed
US-6806274-B1 IMMUNOREGULATION OR IMMUNOSUPPRESSIVE AGENTS; TYROSINE KINASE INHIBITORS; PREVENTING ORGAN TRANSPLANT REJECTION; AUTOIMMUNE CONDITIONS; REDUCED SIDE EFFECTS ASTRAZENECA UK LIMITED (GB) 2004-10-19 US disclosed
US-20030225111-A1 Therapy ASTRAZENECA AB (SE) 2003-12-04 US disclosed
EP-1272185-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2003-01-08 EP disclosed
EP-1218353-A1 QUINAZOLINE DERIVATIVES AstraZeneca UK Limited (GB) 2002-07-03 EP disclosed
EP-1218354-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2002002534-A1 QUINAZOLINES WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2002-01-10 WO disclosed
US-6294532-B1 TREATMENT OF A NUMBER OF DISEASE STATES INCLUDING CANCER AND RHEUMATOID ARTHRITIS. ZENECA LIMITED (GB) 2001-09-25 US disclosed
WO-2001066099-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2001-09-13 WO disclosed
WO-2001021596-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2001-03-29 WO disclosed
WO-2001004102-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-01-18 WO disclosed
EP-1005470-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 2000-06-07 EP disclosed
WO-1999010349-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 1999-03-04 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 (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-20030225111-A1 Therapy VEGFA, AQP1, FLT1 IP6K1 4117/4885CYP3A4 644/4885ALOX5 2567/4885

“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.