SCHEMBL4466049

SCHEMBL4466049

Cc1cc(N)ccc1Oc1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
PARP10 Q53GL7 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAOA P21397 1/20 0.39
RXRA P19793 1/20 0.39
USP2 O75604 1/20 0.38
ELANE P08246 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL4460715 0.86 SLC7A5 (0.43) PARP10LMNACYP1A2USP2HPGD
SCHEMBL2748866 0.85 ESRRA (0.45) CA12CA1CA2CA9CA14
SCHEMBL9297411 0.83 PARP10 (0.46) PARP10LMNACYP1A2CYP3A4RXRA
SCHEMBL14966928 0.81 TTR (0.48) RXRABRD4
SCHEMBL4473752 0.80 ALDH1A1 (0.47) NR1H4ADRB2ADRB1ADRB3LMNA
SCHEMBL2992329 0.79 ALDH1A1 (0.52) LMNACYP1A2CYP3A4MAOAALDH1A1
SCHEMBL7711932 0.78 CA12 (0.43) CA12CA1CA2CA9CA14
SCHEMBL31188345 0.78 CA12 (0.50) CA12CA1CA2CA9CA14
SCHEMBL1155719 0.77 ALDH1A1 (0.55) CYP3A4MAOAALDH1A1HPGDKMT2A
SCHEMBL5918245 0.77 HPGD (0.54) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585869-B2 Substituted heterocylces for the treatment of abnormal cell growth PFIZER, INC. (US) 2009-09-08 US disclosed
EP-1636195-A1 QUINAZOLINES AND PYRIDO[3,4-D]PYRIMIDINES AS RECEPTOR TYROSINE KINASE INHIBITORS Pfizer Products Inc. (US) 2006-03-22 EP disclosed
WO-2004106308-A1 QUINAZOLINES AND PYRIDO [3,4-D] PYRIMIDINES AS RECEPTOR TYROSINE KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2004-12-09 WO disclosed
US-20040242604-A1 Substituted heterocycles for the treatment of abnormal cell growth PFIZER INC 2004-12-02 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 (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-20040242604-A1 Substituted heterocycles for the treatment of abnormal cell growth CCNA1, CCNT1, CCNY CA12 1714/4885CA1 856/4885CA2 1483/4885

“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.