SCHEMBL1190641

SCHEMBL1190641

CN(Cc1ccccc1)C(=O)C1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
TSHR P16473 2/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
HTT P42858 2/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL5790489 0.89 POLB (0.69) POLBKMT2AMEN1TSHRNPC1
SCHEMBL24636855 0.86 POLB (0.66) POLBKMT2AMEN1TSHRNPC1
SCHEMBL19750331 0.84 MEN1 (0.64) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL13450089 0.83 POLB (0.63) POLBKMT2AMEN1TSHRNPC1
SCHEMBL3154235 0.83 POLB (0.63) POLBKMT2AMEN1TSHRNPC1
SCHEMBL3157460 0.82 POLB (0.61) POLBKMT2AMEN1TSHRNPC1
SCHEMBL3560864 0.82 POLB (0.61) POLBKMT2AMEN1TSHRNPC1
SCHEMBL3551935 0.81 POLB (0.68) POLBKMT2AMEN1TSHRHTT
SCHEMBL8916001 0.81 POLB (0.71) POLBKMT2AMEN1TSHRHTT
Hydrochloric Acid SCHEMBL4713610 0.81 POLB (0.60) POLBKMT2AMEN1TSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586608-B2 Quinazoline derivatives and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-11-19 US disclosed
US-RE43431-E1 Quinazoline derivatives and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2012-05-29 US disclosed
US-20110046168-A1 METHODS OF TREATING DISEASES USING QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2011-02-24 US disclosed
US-20100010023-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-01-14 US disclosed
US-20060100223-A1 Quinazoline derivatives and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-11 US disclosed
US-7019012-B2 Tyrosine inhibitors; antitumor agents; respiratory system disorders BOEHRINGER INGELHEIM INTERNATIONAL PHARMA GMBH & CO. KG (DE) 2006-03-28 US disclosed
US-20020173509-A1 Quinazoline derivatives and phamaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-11-21 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 (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-20020173509-A1 Quinazoline derivatives and phamaceutical compositions containing them MAP3K1, MAP4K2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 POLB 1964/4885KMT2A 2297/4885MEN1 2032/4885
US-20060100223-A1 Quinazoline derivatives and pharmaceutical compositions containing them CNKSR1, RET, ABL1 POLB 2558/4885KMT2A 1751/4885MEN1 2225/4885
US-20100010023-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CNKSR1, ABL1, TYK2 POLB 2642/4885KMT2A 1490/4885MEN1 1853/4885
US-20110046168-A1 METHODS OF TREATING DISEASES USING QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CNKSR1, ABL1, JAK1 POLB 2181/4885KMT2A 1394/4885MEN1 1512/4885

“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.