SCHEMBL965226

SCHEMBL965226

O=S(=O)(Nc1c[c]ccc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.66
IL1RN P18510 1/20 0.66
ERAP1 Q9NZ08 1/20 0.66
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
ALDH1A1 P00352 2/20 0.61
PKM P14618 1/20 0.61
CA12 O43570 3/20 0.51
CA2 P00918 3/20 0.51
CA9 Q16790 3/20 0.51
CA1 P00915 2/20 0.51
HTR6 P50406 2/20 0.51
HPGD P15428 2/20 0.49
PGR P06401 2/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL5036917 0.90 UQCRB (0.56) KEAP1IL1RNERAP1KMT2AMEN1
SCHEMBL4850048 0.89 KEAP1 (0.66) KEAP1IL1RNERAP1KMT2AMEN1
SCHEMBL5046841 0.85 HSD17B2 (0.55) KEAP1IL1RNERAP1KMT2AMEN1
SCHEMBL28821888 0.85 UQCRB (0.54) KEAP1IL1RNERAP1KMT2AMEN1
SCHEMBL10774342 0.85 KMT2A (0.65) KEAP1IL1RNERAP1KMT2AMEN1
SCHEMBL3332937 0.85 CA12 (0.65) KEAP1KMT2AMEN1ALDH1A1CA12
SCHEMBL5041834 0.85 MEN1 (0.55) KEAP1KMT2AMEN1ALDH1A1PKM
SCHEMBL751419 0.85 CYP19A1 (0.63) KEAP1IL1RNERAP1KMT2AMEN1
SCHEMBL5044522 0.82 CYP19A1 (0.55) KMT2AMEN1ALDH1A1PKM
SCHEMBL27736175 0.82 CA12 (0.61) KMT2AMEN1ALDH1A1PKMCA12

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 161 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426429-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-04-23 US claimed
US-8383637-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-02-26 US claimed
EP-1776350-B1 NOVEL 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF ß-SECRETASE ( BACE ) JANSSEN PHARMACEUTICA NV (BE) 2013-01-23 EP claimed
CN-101035770-B 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV 2011-02-23 CN claimed
EP-1776349-B1 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2010-10-06 EP claimed
EP-1888542-A1 SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP claimed
CN-101035770-A Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2007-09-12 CN claimed
CN-101035771-A 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2007-09-12 CN claimed
EP-1776349-A2 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-25 EP claimed
EP-1776350-A1 NOVEL 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF ß-SECRETASE ( BACE ) JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-25 EP claimed
US-20060079686-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2006-04-13 US claimed
WO-2006017844-A1 NOVEL 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF β-SECRETASE (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-02-16 WO claimed
WO-2006017836-A2 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-02-16 WO claimed
EP-1619184-A2 Urea compounds as kinase inhibitors Amgen, Inc. (US) 2006-01-25 EP claimed
EP-1309589-A2 UREA COMPOUNDS AND METHODS OF USES Amgen Inc. (US) 2003-05-14 EP claimed
US-20020173507-A1 Urea compounds and methods of uses AMGEN INC. 2002-11-21 US claimed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 WO claimed
EP-0387201-B1 Mixture of dyestuffs and their use CIBA GEIGY AG (CH) 1994-02-02 EP claimed
US-5131919-A Trichromic dyeing or printing CIBA-GEIGY CORPORATION (US) 1992-07-21 US claimed
EP-0387201-A1 Mixture of dyestuffs and their use CIBA-GEIGY AG (CH) 1990-09-12 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX KEAP1 382/4885IL1RN 3397/4885ERAP1 180/4885
US-20060079686-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) BACE2, BACE1, APP KEAP1 233/4885IL1RN 1148/4885ERAP1 76/4885

“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.