SCHEMBL4028006

SCHEMBL4028006

Nc1ccc2c(c1)c(Cl)cn2Cc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.48
▸ SLC2A1 P11166 1/20 0.46
▸ ADRA1D P25100 1/20 0.44
▸ SLC22A12 Q96S37 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ HRH1 P35367 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ASIC3 Q9UHC3 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ BRD4 O60885 1/20 0.35

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
SCHEMBL4031362 0.79 CFTR (0.44) L3MBTL1KDM4ECNR1ACHECNR2
SCHEMBL4788368 0.77 HTR6 (0.57) SLC2A1CHRM1
SCHEMBL4028459 0.76 CNR1 (0.49) SYKSLC2A1ADRA1DL3MBTL1KDM4E
SCHEMBL3507524 0.74 SLC2A1 (0.54) SYKSLC2A1L3MBTL1MAOAMAOB
SCHEMBL31661504 0.74 SLC2A1 (0.54) SYKSLC2A1L3MBTL1MAOAMAOB
SCHEMBL916444 0.71 BRD4 (0.56) SYKSLC2A1L3MBTL1MAOAMAOB
SCHEMBL20787926 0.71 MEN1 (0.45) SLC2A1ADRA1DSLC22A12KDM4ECHRM1
Hydrochloric Acid SCHEMBL19896389 0.71 L3MBTL1 (0.47) SYKSLC2A1L3MBTL1KDM4ECNR2
SCHEMBL8757556 0.70 HRH1 (0.50) SLC2A1SLC22A12KDM4ECHRM1HRH1
SCHEMBL30292038 0.69 ADRA1D (0.46) ADRA1DKDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444210-B1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-02-18 — — EP disclosed
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 — — EP disclosed
CN-100343238-C Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2007-10-17 — — CN disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 — — US disclosed
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 — — US disclosed
CN-1764651-A Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2006-04-26 — — CN disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 — — US disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 — — US disclosed
CN-1585754-A Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-23 — — CN 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 SYK 318/4885SLC2A1 3970/4885ADRA1D 1302/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 SYK 146/4885SLC2A1 4136/4885ADRA1D 1740/4885
US-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 SYK 318/4885SLC2A1 3970/4885ADRA1D 1302/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 SYK 146/4885SLC2A1 4136/4885ADRA1D 1740/4885

“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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