SCHEMBL3743319

SCHEMBL3743319

Cc1cnc(CN2CCOCC2)n1CCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ SCN2A Q99250 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL3274939 0.78 CYP2C19 (0.41) CYP3A4CYP1A2CYP2C19SMN1; SMN2CNR2
SCHEMBL3735184 0.72 DUT (0.36) —
SCHEMBL3743325 0.71 CNR2 (0.33) CYP3A4CYP2D6CYP1A2CYP2C19SMN1; SMN2
SCHEMBL18641445 0.68 SMN1; SMN2 (0.43) CYP3A4CYP1A2CYP2C19SMN1; SMN2CNR2
SCHEMBL10183002 0.67 ALOX15 (0.41) CYP3A4CYP2D6HRH3CYP1A2CYP2C19
SCHEMBL19145771 0.65 SMN1; SMN2 (0.47) CYP3A4HRH3CYP1A2CYP2C19SMN1; SMN2
SCHEMBL3743315 0.65 CYP3A4 (0.34) CYP3A4CYP2D6CYP1A2CYP2C19SMN1; SMN2
SCHEMBL26998850 0.65 TDP1 (0.41) CYP3A4CYP2D6SMN1; SMN2ALDH1A1MAPK1
SCHEMBL6586952 0.64 LMNA (0.39) CNR2HSD17B10ALDH1A1
SCHEMBL20037568 0.64 NOS3 (0.40) CNR2ALDH1A1HTR2ACNR1

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-20100280042-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS HENNEQUIN LAURENT FRANCOIS ANDRE 2010-11-04 — — US disclosed
EP-1453492-B1 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-01-24 — — EP disclosed
US-7160891-B2 Quinazoline derivatives for the treatment of T cell mediated diseases ASTRAZENECA AB (SE) 2007-01-09 — — US disclosed
US-7157467-B2 Administering compound such as 6-methoxy-4-(2,3-methylenedioxyanilino)-7-(3-morpholinopropoxy)quinazoline for therapy of an autoimmune disease or medical condition selected from transplant rejection and rheumatoid arthritis ASTRAZENECA AB (SE) 2007-01-02 — — US disclosed
US-7115615-B2 Quinazoline derivatives ASTRAZENECA (SE) 2006-10-03 — — US disclosed
US-7049438-B2 Quinazoline derivatives for treatment of tumours ASTRAZENECA AB (SE) 2006-05-23 — — US disclosed
EP-1450808-B8 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2006-01-04 — — EP disclosed
EP-1450808-B1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2005-06-15 — — EP disclosed
US-20050038050-A1 Quinazoline derivatives for the treatment of t cell mediated diseases ASTRAZENECA AB (SE) 2005-02-17 — — US disclosed
US-20050014773-A1 Therapeutic use ASTRAZENACA AB (SE) 2005-01-20 — — US disclosed
US-20040214841-A1 Quinazoline derivatives for treatment of tumours ASTRAZENECA AB (SE) 2004-10-28 — — US disclosed
EP-1450808-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES Astrazeneca AB (SE) 2004-09-01 — — EP disclosed
US-20040034046-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-02-19 — — US disclosed
WO-2003045395-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 — — WO disclosed
EP-1313727-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-05-28 — — EP disclosed
WO-2001094341-A9 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2003-04-17 — — WO disclosed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 — — 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-20050014773-A1 Therapeutic use CD4, HLA-DRB1, CD74 CYP3A4 2581/4885CYP2D6 1506/4885HRH3 27/4885
US-20040214841-A1 Quinazoline derivatives for treatment of tumours NQO2, TOP1, TPD52L2 CYP3A4 773/4885CYP2D6 429/4885HRH3 666/4885
US-20050038050-A1 Quinazoline derivatives for the treatment of t cell mediated diseases CD4, HLA-DRB1, IFNG CYP3A4 776/4885CYP2D6 752/4885HRH3 47/4885
US-20100280042-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS TPD52L2, NQO2, H1-5 CYP3A4 320/4885CYP2D6 333/4885HRH3 439/4885
US-20040034046-A1 Quinazoline derivatives NQO2, NRAS, TOP1 CYP3A4 355/4885CYP2D6 285/4885HRH3 309/4885

“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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