SCHEMBL491436

SCHEMBL491436

CCCCCc1csc(Nc2ccccc2)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.72
ADRB1 P08588 2/20 0.72
ADRB3 P13945 2/20 0.72
RAB9A P51151 5/20 0.54
GAA P10253 3/20 0.54
KMT2A Q03164 3/20 0.54
PLA2G7 Q13093 1/20 0.51
CSNK2A1 P68400 1/20 0.50
PLK3 Q9H4B4 1/20 0.50
CCR4 P51679 1/20 0.50
KCNH3 Q9ULD8 1/20 0.49
NPC1 O15118 4/20 0.48
LMNA P02545 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPT P10636 8/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 1/20 0.47
MMP2 P08253 1/20 0.47
MMP10 P09238 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
SCHEMBL5494002 0.99 ADRB2 (0.74) ADRB2ADRB1ADRB3RAB9AGAA
SCHEMBL27812589 0.95 ADRB2 (0.67) ADRB2ADRB1ADRB3RAB9AGAA
Bromide SCHEMBL27812101 0.94 ADRB2 (0.65) ADRB2ADRB1ADRB3RAB9AGAA
SCHEMBL13181102 0.89 ADRB2 (0.59) ADRB2ADRB1ADRB3RAB9AGAA
SCHEMBL13503715 0.83 RAB9A (0.62) ADRB2ADRB1ADRB3RAB9AGAA
SCHEMBL206453 0.82 ADRB3 (0.59) ADRB2ADRB1ADRB3RAB9AGAA
SCHEMBL28818145 0.81 ALDH1A1 (0.59) ADRB2ADRB1ADRB3RAB9AGAA
SCHEMBL28007919 0.81 ADRB2 (0.55) ADRB2ADRB1ADRB3RAB9AGAA
SCHEMBL9385942 0.80 CSNK2A1 (0.58) ADRB2ADRB1ADRB3RAB9AGAA
SCHEMBL1527377 0.80 GAA (0.61) ADRB2ADRB1ADRB3RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820869-B1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT (HU) 2023-08-30 EP disclosed
US-20210330650-A1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2021-10-28 US disclosed
EP-3820865-A1 THIADIAZINE DERIVATIVES Richter Gedeon Nyrt. (HU) 2021-05-19 EP disclosed
EP-3820869-A1 SPIROCHROMANE DERIVATIVES Richter Gedeon Nyrt. (HU) 2021-05-19 EP disclosed
WO-2020012423-A1 THIADIAZINE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2020-01-16 WO disclosed
WO-2020012422-A1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2020-01-16 WO disclosed
WO-2020012424-A1 SUBSTITUTED (AZA)INDOLE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2020-01-16 WO disclosed
EP-1926719-B1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-05-31 EP disclosed
WO-2016154110-A1 COMPANION DIAGNOSTIC FOR P97 INHIBITOR THERAPY AND METHODS OF USE THEREOF CLEAVE BIOSCIENCES, INC. (US) 2016-09-29 WO disclosed
US-9388175-B2 2-aniline-4-aryl substituted thiazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2016-07-12 US disclosed
US-20120157457-A1 COMPOSITIONS AND METHODS FOR INDUCING NEURONAL DIFFERENTIATION THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2012-06-21 US disclosed
US-8105581-B2 Compositions and methods for inducing neuronal differentiation THE SCRIPPS RESEARCH INSTITUTE (US) 2012-01-31 US disclosed
US-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2011-11-03 US disclosed
CN-101263130-B 2-aniline-4-aryl substituted thiazole derivatives JANSSEN PHARMACEUTICA NV 2011-03-09 CN disclosed
US-20100166710-A1 Compositions and Methods for Inducing Neuronal Differentiation THE SCRIPPS RESEARCH INSTITUTE (US) 2010-07-01 US disclosed
EP-1968597-A1 COMPOSITIONS AND METHODS FOR INDUCING NEURONAL DIFFERENTIATION The Scripps Research Institute (US) 2008-09-17 EP disclosed
CN-101263130-A 2-aniline-4-aryl substituted thiazole derivatives JANSSEN PHARMACEUTICA NV (BE) 2008-09-10 CN disclosed
EP-1926719-A2 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-04 EP disclosed
WO-2007064891-A1 COMPOSITIONS AND METHODS FOR INDUCING NEURONAL DIFFERENTIATION THE SCRIPPS RESEARCH INSTITUTE (US) 2007-06-07 WO disclosed
WO-2007031440-A2 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-22 WO 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-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES CHRNA4, CHRNA5, CHRNA7 ADRB2 105/4885ADRB1 92/4885ADRB3 94/4885
US-20100166710-A1 Compositions and Methods for Inducing Neuronal Differentiation CHAT, DCX, GAP43 ADRB2 3641/4885ADRB1 3919/4885ADRB3 3050/4885
US-20120157457-A1 COMPOSITIONS AND METHODS FOR INDUCING NEURONAL DIFFERENTIATION CHAT, DCX, GAP43 ADRB2 3641/4885ADRB1 3919/4885ADRB3 3050/4885
US-20210330650-A1 SPIROCHROMANE DERIVATIVES CHRNA7, CHRM3, ADRB3 ADRB2 13/4885ADRB1 5/4885ADRB3 3/4885

“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.