Sugi Predict

Sugi Predict / Compounds / SCHEMBL535969

SCHEMBL535969

SCHEMBL535969

COC(CN(C)Cc1ccc(Cl)cc1N)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYCR1 P32322 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SLC6A2 P23975 4/20 0.38
▸ SLC6A4 P31645 4/20 0.38
▸ SLC6A3 Q01959 4/20 0.38
▸ AOC3 Q16853 2/20 0.38
▸ CYP3A4 P08684 3/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL13438439 0.82 GAA (0.41) PYCR1GAAKMT2ASLC6A2SLC6A4
SCHEMBL4715427 0.79 CYP3A4 (0.44) GAAKMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL16370082 0.76 SLC6A4 (0.58) GAAKMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL9376324 0.74 CYP2A6 (0.50) SMN1; SMN2
SCHEMBL13404550 0.69 KMT2A (0.41) PYCR1GAAKMT2ASLC6A2SLC6A4
SCHEMBL10531908 0.68 ABL1 (0.49) GAAKMT2AABL1ALDH1A1SMN1; SMN2
SCHEMBL18944236 0.68 ALDH1A1 (0.47) GAAKMT2AALDH1A1TSHRTDP1
SCHEMBL13404543 0.68 LMNA (0.41) GAAKMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL358331 0.67 CYP3A4 (0.54) GAAKMT2ACYP3A4ABL1ALDH1A1
SCHEMBL29758099 0.67 CYP3A4 (0.54) GAAKMT2ACYP3A4ABL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207938-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-07-21 — — US disclosed
US-9273013-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2016-03-01 — — US disclosed
US-20130178624-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-11 — — US disclosed
US-8394786-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 — — US disclosed
EP-1633365-B1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA NV (BE) 2012-02-08 — — EP disclosed
US-20100105668-A1 Quinazoline derivatives FREYNE EDDY JEAN EDGARD 2010-04-29 — — 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 (3 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-20130178624-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 PYCR1 1526/4885GAA 4786/4885KMT2A 1398/4885
US-20100105668-A1 Quinazoline derivatives NR1H2, NR1H3, NR3C2 PYCR1 1581/4885GAA 4763/4885KMT2A 1499/4885
US-20160207938-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 PYCR1 1745/4885GAA 4736/4885KMT2A 1522/4885

“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.